Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18: 1:14 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./H4NF2.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 84 53 15 2389 1169 180 Max 85 54 16 2391 1184 181 Sum 3055 1909 547 86057 42337 6507 bravais-lattice index = 14 lattice parameter (alat) = 14.4431 a.u. unit-cell volume = 886.2577 (a.u.)^3 number of atoms/cell = 14 number of atomic types = 3 number of electrons = 46.00 number of Kohn-Sham states= 56 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.443052 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.818880 celldm(5)= 0.818880 celldm(6)= 0.818880 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.818880 0.573964 0.000000 ) a(3) = ( 0.818880 0.258405 0.512505 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.426710 -0.878452 ) b(2) = ( 0.000000 1.742269 -0.878452 ) b(3) = ( 0.000000 0.000000 1.951199 ) PseudoPot. # 1 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential H 1.00 1.00790 H( 1.00) F 7.00 18.99840 F( 1.00) N 5.00 14.00670 N( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 271 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036900 k( 2) = ( 0.0121951 -0.0173989 -0.0107128), wk = 0.0036900 k( 3) = ( 0.0243902 -0.0347978 -0.0214257), wk = 0.0036900 k( 4) = ( 0.0365854 -0.0521967 -0.0321385), wk = 0.0036900 k( 5) = ( 0.0487805 -0.0695956 -0.0428513), wk = 0.0036900 k( 6) = ( 0.0609756 -0.0869945 -0.0535641), wk = 0.0036900 k( 7) = ( 0.0731707 -0.1043934 -0.0642770), wk = 0.0036900 k( 8) = ( 0.0853658 -0.1217923 -0.0749898), wk = 0.0036900 k( 9) = ( 0.0975610 -0.1391912 -0.0857026), wk = 0.0036900 k( 10) = ( 0.1097561 -0.1565901 -0.0964155), wk = 0.0036900 k( 11) = ( 0.1219512 -0.1739890 -0.1071283), wk = 0.0036900 k( 12) = ( 0.1341463 -0.1913879 -0.1178411), wk = 0.0036900 k( 13) = ( 0.1463415 -0.2087868 -0.1285539), wk = 0.0036900 k( 14) = ( 0.1585366 -0.2261857 -0.1392668), wk = 0.0036900 k( 15) = ( 0.1707317 -0.2435846 -0.1499796), wk = 0.0036900 k( 16) = ( 0.1829268 -0.2609835 -0.1606924), wk = 0.0036900 k( 17) = ( 0.1951219 -0.2783824 -0.1714053), wk = 0.0036900 k( 18) = ( 0.2073171 -0.2957813 -0.1821181), wk = 0.0036900 k( 19) = ( 0.2195122 -0.3131802 -0.1928309), wk = 0.0036900 k( 20) = ( 0.2317073 -0.3305791 -0.2035437), wk = 0.0036900 k( 21) = ( 0.2439024 -0.3479780 -0.2142566), wk = 0.0036900 k( 22) = ( 0.2560976 -0.3653769 -0.2249694), wk = 0.0036900 k( 23) = ( 0.2682927 -0.3827758 -0.2356822), wk = 0.0036900 k( 24) = ( 0.2804878 -0.4001747 -0.2463950), wk = 0.0036900 k( 25) = ( 0.2926829 -0.4175737 -0.2571079), wk = 0.0036900 k( 26) = ( 0.3048781 -0.4349726 -0.2678207), wk = 0.0036900 k( 27) = ( 0.3170732 -0.4523715 -0.2785335), wk = 0.0036900 k( 28) = ( 0.3292683 -0.4697704 -0.2892464), wk = 0.0036900 k( 29) = ( 0.3414634 -0.4871693 -0.2999592), wk = 0.0036900 k( 30) = ( 0.3536585 -0.5045682 -0.3106720), wk = 0.0036900 k( 31) = ( 0.3658537 -0.5219671 -0.3213848), wk = 0.0036900 k( 32) = ( 0.3780488 -0.5393660 -0.3320977), wk = 0.0036900 k( 33) = ( 0.3902439 -0.5567649 -0.3428105), wk = 0.0036900 k( 34) = ( 0.4024390 -0.5741638 -0.3535233), wk = 0.0036900 k( 35) = ( 0.4146341 -0.5915627 -0.3642362), wk = 0.0036900 k( 36) = ( 0.4268293 -0.6089616 -0.3749490), wk = 0.0036900 k( 37) = ( 0.4390244 -0.6263605 -0.3856618), wk = 0.0036900 k( 38) = ( 0.4512195 -0.6437594 -0.3963746), wk = 0.0036900 k( 39) = ( 0.4634146 -0.6611583 -0.4070875), wk = 0.0036900 k( 40) = ( 0.4756098 -0.6785572 -0.4178003), wk = 0.0036900 k( 41) = ( 0.4878049 -0.6959561 -0.4285131), wk = 0.0036900 k( 42) = ( 0.5000000 -0.7133550 -0.4392260), wk = 0.0036900 k( 43) = ( 0.5000000 -0.7133550 -0.4392260), wk = 0.0036900 k( 44) = ( 0.5000000 -0.7006529 -0.4598557), wk = 0.0036900 k( 45) = ( 0.5000000 -0.6879507 -0.4804855), wk = 0.0036900 k( 46) = ( 0.5000000 -0.6752486 -0.5011152), wk = 0.0036900 k( 47) = ( 0.5000000 -0.6625465 -0.5217450), wk = 0.0036900 k( 48) = ( 0.5000000 -0.6498444 -0.5423748), wk = 0.0036900 k( 49) = ( 0.5000000 -0.6371422 -0.5630045), wk = 0.0036900 k( 50) = ( 0.5000000 -0.6244401 -0.5836343), wk = 0.0036900 k( 51) = ( 0.5000000 -0.6117380 -0.6042640), wk = 0.0036900 k( 52) = ( 0.5000000 -0.5990359 -0.6248938), wk = 0.0036900 k( 53) = ( 0.5000000 -0.5863337 -0.6455236), wk = 0.0036900 k( 54) = ( 0.5000000 -0.5736316 -0.6661533), wk = 0.0036900 k( 55) = ( 0.5000000 -0.5609295 -0.6867831), wk = 0.0036900 k( 56) = ( 0.5000000 -0.5482273 -0.7074128), wk = 0.0036900 k( 57) = ( 0.5000000 -0.5355252 -0.7280426), wk = 0.0036900 k( 58) = ( 0.5000000 -0.5228231 -0.7486724), wk = 0.0036900 k( 59) = ( 0.5000000 -0.5101210 -0.7693021), wk = 0.0036900 k( 60) = ( 0.5000000 -0.4974188 -0.7899319), wk = 0.0036900 k( 61) = ( 0.5000000 -0.4847167 -0.8105616), wk = 0.0036900 k( 62) = ( 0.5000000 -0.4720146 -0.8311914), wk = 0.0036900 k( 63) = ( 0.5000000 -0.4593124 -0.8518212), wk = 0.0036900 k( 64) = ( 0.5000000 -0.4466103 -0.8724509), wk = 0.0036900 k( 65) = ( 0.5000000 -0.4339082 -0.8930807), wk = 0.0036900 k( 66) = ( 0.5000000 -0.4212061 -0.9137104), wk = 0.0036900 k( 67) = ( 0.5000000 -0.4085039 -0.9343402), wk = 0.0036900 k( 68) = ( 0.5000000 -0.3958018 -0.9549700), wk = 0.0036900 k( 69) = ( 0.5000000 -0.3830997 -0.9755997), wk = 0.0036900 k( 70) = ( 0.8104453 -0.2851359 -0.7813041), wk = 0.0036900 k( 71) = ( 0.8032256 -0.2748355 -0.7608750), wk = 0.0036900 k( 72) = ( 0.7960060 -0.2645352 -0.7404459), wk = 0.0036900 k( 73) = ( 0.7887863 -0.2542348 -0.7200168), wk = 0.0036900 k( 74) = ( 0.7815667 -0.2439344 -0.6995877), wk = 0.0036900 k( 75) = ( 0.7743470 -0.2336341 -0.6791586), wk = 0.0036900 k( 76) = ( 0.7671273 -0.2233337 -0.6587294), wk = 0.0036900 k( 77) = ( 0.7599077 -0.2130334 -0.6383003), wk = 0.0036900 k( 78) = ( 0.7526880 -0.2027330 -0.6178712), wk = 0.0036900 k( 79) = ( 0.7454684 -0.1924327 -0.5974421), wk = 0.0036900 k( 80) = ( 0.7382487 -0.1821323 -0.5770130), wk = 0.0036900 k( 81) = ( 0.7310290 -0.1718319 -0.5565839), wk = 0.0036900 k( 82) = ( 0.7238094 -0.1615316 -0.5361547), wk = 0.0036900 k( 83) = ( 0.7165897 -0.1512312 -0.5157256), wk = 0.0036900 k( 84) = ( 0.7093701 -0.1409309 -0.4952965), wk = 0.0036900 k( 85) = ( 0.7021504 -0.1306305 -0.4748674), wk = 0.0036900 k( 86) = ( 0.6949308 -0.1203301 -0.4544383), wk = 0.0036900 k( 87) = ( 0.6877111 -0.1100298 -0.4340092), wk = 0.0036900 k( 88) = ( 0.6804914 -0.0997294 -0.4135801), wk = 0.0036900 k( 89) = ( 0.6732718 -0.0894291 -0.3931510), wk = 0.0036900 k( 90) = ( 0.6660521 -0.0791287 -0.3727218), wk = 0.0036900 k( 91) = ( 0.6588325 -0.0688283 -0.3522927), wk = 0.0036900 k( 92) = ( 0.6516128 -0.0585280 -0.3318636), wk = 0.0036900 k( 93) = ( 0.6443932 -0.0482276 -0.3114345), wk = 0.0036900 k( 94) = ( 0.6371735 -0.0379273 -0.2910054), wk = 0.0036900 k( 95) = ( 0.6299538 -0.0276269 -0.2705763), wk = 0.0036900 k( 96) = ( 0.6227342 -0.0173266 -0.2501471), wk = 0.0036900 k( 97) = ( 0.6155145 -0.0070262 -0.2297180), wk = 0.0036900 k( 98) = ( 0.6082949 0.0032742 -0.2092889), wk = 0.0036900 k( 99) = ( 0.6010752 0.0135745 -0.1888598), wk = 0.0036900 k( 100) = ( 0.5938556 0.0238749 -0.1684307), wk = 0.0036900 k( 101) = ( 0.5866359 0.0341752 -0.1480016), wk = 0.0036900 k( 102) = ( 0.5794162 0.0444756 -0.1275725), wk = 0.0036900 k( 103) = ( 0.5721966 0.0547759 -0.1071434), wk = 0.0036900 k( 104) = ( 0.5649769 0.0650763 -0.0867142), wk = 0.0036900 k( 105) = ( 0.5577573 0.0753767 -0.0662851), wk = 0.0036900 k( 106) = ( 0.5505376 0.0856770 -0.0458560), wk = 0.0036900 k( 107) = ( 0.5433180 0.0959774 -0.0254269), wk = 0.0036900 k( 108) = ( 0.5360983 0.1062777 -0.0049978), wk = 0.0036900 k( 109) = ( 0.5288786 0.1165781 0.0154313), wk = 0.0036900 k( 110) = ( 0.5216590 0.1268785 0.0358605), wk = 0.0036900 k( 111) = ( 0.5144393 0.1371788 0.0562896), wk = 0.0036900 k( 112) = ( 0.5072197 0.1474792 0.0767187), wk = 0.0036900 k( 113) = ( 0.5000000 0.1577795 0.0971478), wk = 0.0036900 k( 114) = ( 0.5000000 0.1577795 0.0971478), wk = 0.0036900 k( 115) = ( 0.4772727 0.1506077 0.0927320), wk = 0.0036900 k( 116) = ( 0.4545455 0.1434359 0.0883162), wk = 0.0036900 k( 117) = ( 0.4318182 0.1362641 0.0839004), wk = 0.0036900 k( 118) = ( 0.4090909 0.1290923 0.0794846), wk = 0.0036900 k( 119) = ( 0.3863636 0.1219205 0.0750687), wk = 0.0036900 k( 120) = ( 0.3636364 0.1147487 0.0706529), wk = 0.0036900 k( 121) = ( 0.3409091 0.1075769 0.0662371), wk = 0.0036900 k( 122) = ( 0.3181818 0.1004052 0.0618213), wk = 0.0036900 k( 123) = ( 0.2954545 0.0932334 0.0574055), wk = 0.0036900 k( 124) = ( 0.2727273 0.0860616 0.0529897), wk = 0.0036900 k( 125) = ( 0.2500000 0.0788898 0.0485739), wk = 0.0036900 k( 126) = ( 0.2272727 0.0717180 0.0441581), wk = 0.0036900 k( 127) = ( 0.2045454 0.0645462 0.0397423), wk = 0.0036900 k( 128) = ( 0.1818182 0.0573744 0.0353265), wk = 0.0036900 k( 129) = ( 0.1590909 0.0502026 0.0309107), wk = 0.0036900 k( 130) = ( 0.1363636 0.0430308 0.0264949), wk = 0.0036900 k( 131) = ( 0.1136364 0.0358590 0.0220790), wk = 0.0036900 k( 132) = ( 0.0909091 0.0286872 0.0176632), wk = 0.0036900 k( 133) = ( 0.0681818 0.0215154 0.0132474), wk = 0.0036900 k( 134) = ( 0.0454546 0.0143436 0.0088316), wk = 0.0036900 k( 135) = ( 0.0227273 0.0071718 0.0044158), wk = 0.0036900 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036900 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036900 k( 138) = ( 0.0071829 -0.0102479 -0.0203250), wk = 0.0036900 k( 139) = ( 0.0143657 -0.0204957 -0.0406500), wk = 0.0036900 k( 140) = ( 0.0215486 -0.0307436 -0.0609750), wk = 0.0036900 k( 141) = ( 0.0287314 -0.0409914 -0.0813000), wk = 0.0036900 k( 142) = ( 0.0359143 -0.0512393 -0.1016250), wk = 0.0036900 k( 143) = ( 0.0430972 -0.0614872 -0.1219500), wk = 0.0036900 k( 144) = ( 0.0502800 -0.0717350 -0.1422750), wk = 0.0036900 k( 145) = ( 0.0574629 -0.0819829 -0.1625999), wk = 0.0036900 k( 146) = ( 0.0646458 -0.0922307 -0.1829249), wk = 0.0036900 k( 147) = ( 0.0718286 -0.1024786 -0.2032500), wk = 0.0036900 k( 148) = ( 0.0790115 -0.1127265 -0.2235749), wk = 0.0036900 k( 149) = ( 0.0861943 -0.1229743 -0.2438999), wk = 0.0036900 k( 150) = ( 0.0933772 -0.1332222 -0.2642249), wk = 0.0036900 k( 151) = ( 0.1005601 -0.1434700 -0.2845499), wk = 0.0036900 k( 152) = ( 0.1077429 -0.1537179 -0.3048749), wk = 0.0036900 k( 153) = ( 0.1149258 -0.1639658 -0.3251999), wk = 0.0036900 k( 154) = ( 0.1221086 -0.1742136 -0.3455249), wk = 0.0036900 k( 155) = ( 0.1292915 -0.1844615 -0.3658499), wk = 0.0036900 k( 156) = ( 0.1364744 -0.1947093 -0.3861749), wk = 0.0036900 k( 157) = ( 0.1436572 -0.2049572 -0.4064999), wk = 0.0036900 k( 158) = ( 0.1508401 -0.2152051 -0.4268249), wk = 0.0036900 k( 159) = ( 0.1580230 -0.2254529 -0.4471499), wk = 0.0036900 k( 160) = ( 0.1652058 -0.2357008 -0.4674749), wk = 0.0036900 k( 161) = ( 0.1723887 -0.2459487 -0.4877999), wk = 0.0036900 k( 162) = ( 0.1795715 -0.2561965 -0.5081248), wk = 0.0036900 k( 163) = ( 0.1867544 -0.2664444 -0.5284498), wk = 0.0036900 k( 164) = ( 0.1939373 -0.2766922 -0.5487748), wk = 0.0036900 k( 165) = ( 0.2011201 -0.2869401 -0.5690998), wk = 0.0036900 k( 166) = ( 0.2083030 -0.2971880 -0.5894248), wk = 0.0036900 k( 167) = ( 0.2154859 -0.3074358 -0.6097498), wk = 0.0036900 k( 168) = ( 0.2226687 -0.3176837 -0.6300748), wk = 0.0036900 k( 169) = ( 0.2298516 -0.3279315 -0.6503998), wk = 0.0036900 k( 170) = ( 0.2370344 -0.3381794 -0.6707248), wk = 0.0036900 k( 171) = ( 0.2442173 -0.3484272 -0.6910498), wk = 0.0036900 k( 172) = ( 0.2514002 -0.3586751 -0.7113748), wk = 0.0036900 k( 173) = ( 0.2585830 -0.3689230 -0.7316998), wk = 0.0036900 k( 174) = ( 0.2657659 -0.3791708 -0.7520248), wk = 0.0036900 k( 175) = ( 0.2729487 -0.3894187 -0.7723498), wk = 0.0036900 k( 176) = ( 0.2801316 -0.3996666 -0.7926748), wk = 0.0036900 k( 177) = ( 0.2873145 -0.4099144 -0.8129997), wk = 0.0036900 k( 178) = ( 0.2944973 -0.4201623 -0.8333248), wk = 0.0036900 k( 179) = ( 0.3016802 -0.4304101 -0.8536498), wk = 0.0036900 k( 180) = ( 0.3088630 -0.4406580 -0.8739747), wk = 0.0036900 k( 181) = ( 0.3160459 -0.4509059 -0.8942997), wk = 0.0036900 k( 182) = ( 0.3232288 -0.4611537 -0.9146247), wk = 0.0036900 k( 183) = ( 0.3304116 -0.4714016 -0.9349497), wk = 0.0036900 k( 184) = ( 0.3375945 -0.4816494 -0.9552747), wk = 0.0036900 k( 185) = ( 0.3447774 -0.4918973 -0.9755997), wk = 0.0036900 k( 186) = ( 0.6552226 -0.3341178 -0.8784519), wk = 0.0036900 k( 187) = ( 0.6481671 -0.3117588 -0.8784519), wk = 0.0036900 k( 188) = ( 0.6411115 -0.2893998 -0.8784519), wk = 0.0036900 k( 189) = ( 0.6340559 -0.2670409 -0.8784519), wk = 0.0036900 k( 190) = ( 0.6270003 -0.2446819 -0.8784519), wk = 0.0036900 k( 191) = ( 0.6199448 -0.2223229 -0.8784519), wk = 0.0036900 k( 192) = ( 0.6128892 -0.1999640 -0.8784519), wk = 0.0036900 k( 193) = ( 0.6058336 -0.1776050 -0.8784519), wk = 0.0036900 k( 194) = ( 0.5987780 -0.1552460 -0.8784519), wk = 0.0036900 k( 195) = ( 0.5917225 -0.1328871 -0.8784519), wk = 0.0036900 k( 196) = ( 0.5846669 -0.1105281 -0.8784519), wk = 0.0036900 k( 197) = ( 0.5776113 -0.0881691 -0.8784519), wk = 0.0036900 k( 198) = ( 0.5705558 -0.0658102 -0.8784519), wk = 0.0036900 k( 199) = ( 0.5635002 -0.0434512 -0.8784519), wk = 0.0036900 k( 200) = ( 0.5564446 -0.0210922 -0.8784519), wk = 0.0036900 k( 201) = ( 0.5493890 0.0012668 -0.8784519), wk = 0.0036900 k( 202) = ( 0.5423334 0.0236257 -0.8784519), wk = 0.0036900 k( 203) = ( 0.5352779 0.0459847 -0.8784519), wk = 0.0036900 k( 204) = ( 0.5282223 0.0683436 -0.8784519), wk = 0.0036900 k( 205) = ( 0.5211667 0.0907026 -0.8784519), wk = 0.0036900 k( 206) = ( 0.5141111 0.1130616 -0.8784519), wk = 0.0036900 k( 207) = ( 0.5070556 0.1354206 -0.8784519), wk = 0.0036900 k( 208) = ( 0.5000000 0.1577795 -0.8784519), wk = 0.0036900 k( 209) = ( 0.5000000 0.1577795 -0.8784519), wk = 0.0036900 k( 210) = ( 0.5194028 0.1639023 -0.8663084), wk = 0.0036900 k( 211) = ( 0.5388057 0.1700250 -0.8541650), wk = 0.0036900 k( 212) = ( 0.5582085 0.1761477 -0.8420215), wk = 0.0036900 k( 213) = ( 0.5776113 0.1822705 -0.8298780), wk = 0.0036900 k( 214) = ( 0.5970142 0.1883932 -0.8177345), wk = 0.0036900 k( 215) = ( 0.6164170 0.1945160 -0.8055911), wk = 0.0036900 k( 216) = ( 0.6358198 0.2006387 -0.7934476), wk = 0.0036900 k( 217) = ( 0.6552226 0.2067614 -0.7813041), wk = 0.0036900 k( 218) = ( 0.6552226 0.2067614 -0.7813041), wk = 0.0036900 k( 219) = ( 0.6510274 0.2054376 -0.7575622), wk = 0.0036900 k( 220) = ( 0.6468322 0.2041138 -0.7338202), wk = 0.0036900 k( 221) = ( 0.6426370 0.2027899 -0.7100783), wk = 0.0036900 k( 222) = ( 0.6384418 0.2014661 -0.6863363), wk = 0.0036900 k( 223) = ( 0.6342466 0.2001423 -0.6625944), wk = 0.0036900 k( 224) = ( 0.6300514 0.1988184 -0.6388525), wk = 0.0036900 k( 225) = ( 0.6258562 0.1974946 -0.6151105), wk = 0.0036900 k( 226) = ( 0.6216610 0.1961707 -0.5913686), wk = 0.0036900 k( 227) = ( 0.6174658 0.1948469 -0.5676266), wk = 0.0036900 k( 228) = ( 0.6132706 0.1935231 -0.5438847), wk = 0.0036900 k( 229) = ( 0.6090754 0.1921992 -0.5201427), wk = 0.0036900 k( 230) = ( 0.6048802 0.1908754 -0.4964008), wk = 0.0036900 k( 231) = ( 0.6006850 0.1895516 -0.4726589), wk = 0.0036900 k( 232) = ( 0.5964898 0.1882277 -0.4489169), wk = 0.0036900 k( 233) = ( 0.5922945 0.1869039 -0.4251750), wk = 0.0036900 k( 234) = ( 0.5880993 0.1855801 -0.4014330), wk = 0.0036900 k( 235) = ( 0.5839041 0.1842562 -0.3776911), wk = 0.0036900 k( 236) = ( 0.5797089 0.1829324 -0.3539491), wk = 0.0036900 k( 237) = ( 0.5755137 0.1816086 -0.3302072), wk = 0.0036900 k( 238) = ( 0.5713185 0.1802847 -0.3064652), wk = 0.0036900 k( 239) = ( 0.5671233 0.1789609 -0.2827233), wk = 0.0036900 k( 240) = ( 0.5629281 0.1776371 -0.2589814), wk = 0.0036900 k( 241) = ( 0.5587329 0.1763132 -0.2352394), wk = 0.0036900 k( 242) = ( 0.5545377 0.1749894 -0.2114975), wk = 0.0036900 k( 243) = ( 0.5503425 0.1736655 -0.1877555), wk = 0.0036900 k( 244) = ( 0.5461473 0.1723417 -0.1640136), wk = 0.0036900 k( 245) = ( 0.5419521 0.1710179 -0.1402717), wk = 0.0036900 k( 246) = ( 0.5377569 0.1696940 -0.1165297), wk = 0.0036900 k( 247) = ( 0.5335616 0.1683702 -0.0927878), wk = 0.0036900 k( 248) = ( 0.5293665 0.1670464 -0.0690458), wk = 0.0036900 k( 249) = ( 0.5251712 0.1657225 -0.0453039), wk = 0.0036900 k( 250) = ( 0.5209760 0.1643987 -0.0215619), wk = 0.0036900 k( 251) = ( 0.5167808 0.1630749 0.0021800), wk = 0.0036900 k( 252) = ( 0.5125856 0.1617510 0.0259220), wk = 0.0036900 k( 253) = ( 0.5083904 0.1604272 0.0496639), wk = 0.0036900 k( 254) = ( 0.5041952 0.1591034 0.0734058), wk = 0.0036900 k( 255) = ( 0.5000000 0.1577795 0.0971478), wk = 0.0036900 k( 256) = ( 0.5000000 -0.7133550 -0.4392260), wk = 0.0036900 k( 257) = ( 0.5206964 -0.7028364 -0.4327494), wk = 0.0036900 k( 258) = ( 0.5413927 -0.6923177 -0.4262729), wk = 0.0036900 k( 259) = ( 0.5620891 -0.6817991 -0.4197964), wk = 0.0036900 k( 260) = ( 0.5827854 -0.6712805 -0.4133199), wk = 0.0036900 k( 261) = ( 0.6034818 -0.6607618 -0.4068434), wk = 0.0036900 k( 262) = ( 0.6241781 -0.6502432 -0.4003668), wk = 0.0036900 k( 263) = ( 0.6448745 -0.6397246 -0.3938903), wk = 0.0036900 k( 264) = ( 0.6655708 -0.6292059 -0.3874138), wk = 0.0036900 k( 265) = ( 0.6862672 -0.6186873 -0.3809373), wk = 0.0036900 k( 266) = ( 0.7069635 -0.6081686 -0.3744608), wk = 0.0036900 k( 267) = ( 0.7276599 -0.5976500 -0.3679842), wk = 0.0036900 k( 268) = ( 0.7483562 -0.5871314 -0.3615077), wk = 0.0036900 k( 269) = ( 0.7690526 -0.5766127 -0.3550312), wk = 0.0036900 k( 270) = ( 0.7897489 -0.5660941 -0.3485547), wk = 0.0036900 k( 271) = ( 0.8104453 -0.5555755 -0.3420782), wk = 0.0036900 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036900 k( 2) = ( 0.0121951 -0.0000000 -0.0000000), wk = 0.0036900 k( 3) = ( 0.0243902 -0.0000000 -0.0000000), wk = 0.0036900 k( 4) = ( 0.0365854 -0.0000000 0.0000000), wk = 0.0036900 k( 5) = ( 0.0487805 -0.0000000 0.0000000), wk = 0.0036900 k( 6) = ( 0.0609756 -0.0000000 0.0000000), wk = 0.0036900 k( 7) = ( 0.0731707 -0.0000000 -0.0000000), wk = 0.0036900 k( 8) = ( 0.0853658 -0.0000000 -0.0000000), wk = 0.0036900 k( 9) = ( 0.0975610 -0.0000000 0.0000000), wk = 0.0036900 k( 10) = ( 0.1097561 -0.0000000 -0.0000000), wk = 0.0036900 k( 11) = ( 0.1219512 -0.0000000 0.0000000), wk = 0.0036900 k( 12) = ( 0.1341463 -0.0000000 -0.0000000), wk = 0.0036900 k( 13) = ( 0.1463415 -0.0000000 -0.0000000), wk = 0.0036900 k( 14) = ( 0.1585366 -0.0000000 -0.0000000), wk = 0.0036900 k( 15) = ( 0.1707317 -0.0000000 -0.0000000), wk = 0.0036900 k( 16) = ( 0.1829268 -0.0000000 0.0000000), wk = 0.0036900 k( 17) = ( 0.1951219 -0.0000000 -0.0000000), wk = 0.0036900 k( 18) = ( 0.2073171 -0.0000000 -0.0000000), wk = 0.0036900 k( 19) = ( 0.2195122 -0.0000000 -0.0000000), wk = 0.0036900 k( 20) = ( 0.2317073 -0.0000000 -0.0000000), wk = 0.0036900 k( 21) = ( 0.2439024 -0.0000000 0.0000000), wk = 0.0036900 k( 22) = ( 0.2560976 -0.0000000 -0.0000000), wk = 0.0036900 k( 23) = ( 0.2682927 -0.0000000 -0.0000000), wk = 0.0036900 k( 24) = ( 0.2804878 -0.0000000 -0.0000000), wk = 0.0036900 k( 25) = ( 0.2926829 -0.0000000 -0.0000000), wk = 0.0036900 k( 26) = ( 0.3048781 -0.0000000 0.0000000), wk = 0.0036900 k( 27) = ( 0.3170732 -0.0000000 -0.0000000), wk = 0.0036900 k( 28) = ( 0.3292683 -0.0000000 -0.0000000), wk = 0.0036900 k( 29) = ( 0.3414634 -0.0000000 -0.0000000), wk = 0.0036900 k( 30) = ( 0.3536585 -0.0000000 -0.0000000), wk = 0.0036900 k( 31) = ( 0.3658537 -0.0000000 0.0000000), wk = 0.0036900 k( 32) = ( 0.3780488 -0.0000000 0.0000000), wk = 0.0036900 k( 33) = ( 0.3902439 -0.0000000 -0.0000000), wk = 0.0036900 k( 34) = ( 0.4024390 -0.0000000 -0.0000000), wk = 0.0036900 k( 35) = ( 0.4146341 -0.0000000 -0.0000000), wk = 0.0036900 k( 36) = ( 0.4268293 -0.0000000 0.0000000), wk = 0.0036900 k( 37) = ( 0.4390244 -0.0000000 0.0000000), wk = 0.0036900 k( 38) = ( 0.4512195 -0.0000000 -0.0000000), wk = 0.0036900 k( 39) = ( 0.4634146 -0.0000000 -0.0000000), wk = 0.0036900 k( 40) = ( 0.4756098 -0.0000000 0.0000000), wk = 0.0036900 k( 41) = ( 0.4878049 -0.0000000 0.0000000), wk = 0.0036900 k( 42) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0036900 k( 43) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0036900 k( 44) = ( 0.5000000 0.0072906 -0.0072906), wk = 0.0036900 k( 45) = ( 0.5000000 0.0145811 -0.0145811), wk = 0.0036900 k( 46) = ( 0.5000000 0.0218717 -0.0218717), wk = 0.0036900 k( 47) = ( 0.5000000 0.0291623 -0.0291623), wk = 0.0036900 k( 48) = ( 0.5000000 0.0364528 -0.0364528), wk = 0.0036900 k( 49) = ( 0.5000000 0.0437434 -0.0437434), wk = 0.0036900 k( 50) = ( 0.5000000 0.0510340 -0.0510340), wk = 0.0036900 k( 51) = ( 0.5000000 0.0583245 -0.0583245), wk = 0.0036900 k( 52) = ( 0.5000000 0.0656151 -0.0656151), wk = 0.0036900 k( 53) = ( 0.5000000 0.0729057 -0.0729057), wk = 0.0036900 k( 54) = ( 0.5000000 0.0801962 -0.0801962), wk = 0.0036900 k( 55) = ( 0.5000000 0.0874868 -0.0874868), wk = 0.0036900 k( 56) = ( 0.5000000 0.0947774 -0.0947774), wk = 0.0036900 k( 57) = ( 0.5000000 0.1020679 -0.1020679), wk = 0.0036900 k( 58) = ( 0.5000000 0.1093585 -0.1093585), wk = 0.0036900 k( 59) = ( 0.5000000 0.1166490 -0.1166491), wk = 0.0036900 k( 60) = ( 0.5000000 0.1239396 -0.1239396), wk = 0.0036900 k( 61) = ( 0.5000000 0.1312302 -0.1312302), wk = 0.0036900 k( 62) = ( 0.5000000 0.1385207 -0.1385207), wk = 0.0036900 k( 63) = ( 0.5000000 0.1458113 -0.1458113), wk = 0.0036900 k( 64) = ( 0.5000000 0.1531019 -0.1531019), wk = 0.0036900 k( 65) = ( 0.5000000 0.1603924 -0.1603925), wk = 0.0036900 k( 66) = ( 0.5000000 0.1676830 -0.1676830), wk = 0.0036900 k( 67) = ( 0.5000000 0.1749736 -0.1749736), wk = 0.0036900 k( 68) = ( 0.5000000 0.1822641 -0.1822641), wk = 0.0036900 k( 69) = ( 0.5000000 0.1895547 -0.1895547), wk = 0.0036900 k( 70) = ( 0.8104453 0.5000000 0.1895547), wk = 0.0036900 k( 71) = ( 0.8032256 0.5000000 0.1967744), wk = 0.0036900 k( 72) = ( 0.7960060 0.5000000 0.2039940), wk = 0.0036900 k( 73) = ( 0.7887863 0.5000000 0.2112137), wk = 0.0036900 k( 74) = ( 0.7815667 0.5000000 0.2184333), wk = 0.0036900 k( 75) = ( 0.7743470 0.5000000 0.2256530), wk = 0.0036900 k( 76) = ( 0.7671273 0.5000000 0.2328727), wk = 0.0036900 k( 77) = ( 0.7599077 0.5000000 0.2400923), wk = 0.0036900 k( 78) = ( 0.7526880 0.5000000 0.2473120), wk = 0.0036900 k( 79) = ( 0.7454684 0.5000000 0.2545316), wk = 0.0036900 k( 80) = ( 0.7382487 0.5000000 0.2617513), wk = 0.0036900 k( 81) = ( 0.7310290 0.5000000 0.2689710), wk = 0.0036900 k( 82) = ( 0.7238094 0.5000000 0.2761906), wk = 0.0036900 k( 83) = ( 0.7165897 0.5000000 0.2834103), wk = 0.0036900 k( 84) = ( 0.7093701 0.5000000 0.2906299), wk = 0.0036900 k( 85) = ( 0.7021504 0.5000000 0.2978496), wk = 0.0036900 k( 86) = ( 0.6949308 0.5000000 0.3050692), wk = 0.0036900 k( 87) = ( 0.6877111 0.5000000 0.3122889), wk = 0.0036900 k( 88) = ( 0.6804914 0.5000000 0.3195085), wk = 0.0036900 k( 89) = ( 0.6732718 0.5000000 0.3267282), wk = 0.0036900 k( 90) = ( 0.6660521 0.5000000 0.3339479), wk = 0.0036900 k( 91) = ( 0.6588325 0.5000000 0.3411675), wk = 0.0036900 k( 92) = ( 0.6516128 0.5000000 0.3483872), wk = 0.0036900 k( 93) = ( 0.6443932 0.5000000 0.3556068), wk = 0.0036900 k( 94) = ( 0.6371735 0.5000000 0.3628265), wk = 0.0036900 k( 95) = ( 0.6299538 0.5000000 0.3700462), wk = 0.0036900 k( 96) = ( 0.6227342 0.5000000 0.3772658), wk = 0.0036900 k( 97) = ( 0.6155145 0.5000000 0.3844855), wk = 0.0036900 k( 98) = ( 0.6082949 0.5000000 0.3917051), wk = 0.0036900 k( 99) = ( 0.6010752 0.5000000 0.3989248), wk = 0.0036900 k( 100) = ( 0.5938556 0.5000000 0.4061444), wk = 0.0036900 k( 101) = ( 0.5866359 0.5000000 0.4133641), wk = 0.0036900 k( 102) = ( 0.5794162 0.5000000 0.4205838), wk = 0.0036900 k( 103) = ( 0.5721966 0.5000000 0.4278034), wk = 0.0036900 k( 104) = ( 0.5649769 0.5000000 0.4350231), wk = 0.0036900 k( 105) = ( 0.5577573 0.5000000 0.4422427), wk = 0.0036900 k( 106) = ( 0.5505376 0.5000000 0.4494624), wk = 0.0036900 k( 107) = ( 0.5433180 0.5000000 0.4566821), wk = 0.0036900 k( 108) = ( 0.5360983 0.5000000 0.4639017), wk = 0.0036900 k( 109) = ( 0.5288786 0.5000000 0.4711214), wk = 0.0036900 k( 110) = ( 0.5216590 0.5000000 0.4783410), wk = 0.0036900 k( 111) = ( 0.5144393 0.5000000 0.4855607), wk = 0.0036900 k( 112) = ( 0.5072197 0.5000000 0.4927803), wk = 0.0036900 k( 113) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036900 k( 114) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036900 k( 115) = ( 0.4772727 0.4772727 0.4772727), wk = 0.0036900 k( 116) = ( 0.4545455 0.4545454 0.4545455), wk = 0.0036900 k( 117) = ( 0.4318182 0.4318182 0.4318182), wk = 0.0036900 k( 118) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0036900 k( 119) = ( 0.3863636 0.3863636 0.3863636), wk = 0.0036900 k( 120) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0036900 k( 121) = ( 0.3409091 0.3409091 0.3409091), wk = 0.0036900 k( 122) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0036900 k( 123) = ( 0.2954545 0.2954545 0.2954545), wk = 0.0036900 k( 124) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0036900 k( 125) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036900 k( 126) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0036900 k( 127) = ( 0.2045454 0.2045454 0.2045454), wk = 0.0036900 k( 128) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0036900 k( 129) = ( 0.1590909 0.1590909 0.1590909), wk = 0.0036900 k( 130) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0036900 k( 131) = ( 0.1136364 0.1136364 0.1136364), wk = 0.0036900 k( 132) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0036900 k( 133) = ( 0.0681818 0.0681818 0.0681818), wk = 0.0036900 k( 134) = ( 0.0454546 0.0454545 0.0454546), wk = 0.0036900 k( 135) = ( 0.0227273 0.0227273 0.0227273), wk = 0.0036900 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036900 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036900 k( 138) = ( 0.0071829 -0.0000000 -0.0071829), wk = 0.0036900 k( 139) = ( 0.0143657 -0.0000000 -0.0143657), wk = 0.0036900 k( 140) = ( 0.0215486 -0.0000000 -0.0215486), wk = 0.0036900 k( 141) = ( 0.0287314 -0.0000000 -0.0287315), wk = 0.0036900 k( 142) = ( 0.0359143 -0.0000000 -0.0359143), wk = 0.0036900 k( 143) = ( 0.0430972 -0.0000000 -0.0430972), wk = 0.0036900 k( 144) = ( 0.0502800 -0.0000000 -0.0502800), wk = 0.0036900 k( 145) = ( 0.0574629 -0.0000000 -0.0574629), wk = 0.0036900 k( 146) = ( 0.0646458 -0.0000000 -0.0646458), wk = 0.0036900 k( 147) = ( 0.0718286 -0.0000000 -0.0718286), wk = 0.0036900 k( 148) = ( 0.0790115 -0.0000000 -0.0790115), wk = 0.0036900 k( 149) = ( 0.0861943 -0.0000000 -0.0861943), wk = 0.0036900 k( 150) = ( 0.0933772 -0.0000000 -0.0933772), wk = 0.0036900 k( 151) = ( 0.1005601 -0.0000000 -0.1005601), wk = 0.0036900 k( 152) = ( 0.1077429 -0.0000000 -0.1077429), wk = 0.0036900 k( 153) = ( 0.1149258 -0.0000000 -0.1149258), wk = 0.0036900 k( 154) = ( 0.1221086 -0.0000000 -0.1221087), wk = 0.0036900 k( 155) = ( 0.1292915 -0.0000000 -0.1292915), wk = 0.0036900 k( 156) = ( 0.1364744 -0.0000000 -0.1364744), wk = 0.0036900 k( 157) = ( 0.1436572 -0.0000000 -0.1436572), wk = 0.0036900 k( 158) = ( 0.1508401 -0.0000000 -0.1508401), wk = 0.0036900 k( 159) = ( 0.1580230 -0.0000000 -0.1580230), wk = 0.0036900 k( 160) = ( 0.1652058 -0.0000000 -0.1652058), wk = 0.0036900 k( 161) = ( 0.1723887 -0.0000000 -0.1723887), wk = 0.0036900 k( 162) = ( 0.1795715 -0.0000000 -0.1795715), wk = 0.0036900 k( 163) = ( 0.1867544 -0.0000000 -0.1867544), wk = 0.0036900 k( 164) = ( 0.1939373 -0.0000000 -0.1939373), wk = 0.0036900 k( 165) = ( 0.2011201 -0.0000000 -0.2011201), wk = 0.0036900 k( 166) = ( 0.2083030 -0.0000000 -0.2083030), wk = 0.0036900 k( 167) = ( 0.2154859 -0.0000000 -0.2154859), wk = 0.0036900 k( 168) = ( 0.2226687 -0.0000000 -0.2226687), wk = 0.0036900 k( 169) = ( 0.2298516 -0.0000000 -0.2298516), wk = 0.0036900 k( 170) = ( 0.2370344 -0.0000000 -0.2370344), wk = 0.0036900 k( 171) = ( 0.2442173 -0.0000000 -0.2442173), wk = 0.0036900 k( 172) = ( 0.2514002 -0.0000000 -0.2514002), wk = 0.0036900 k( 173) = ( 0.2585830 -0.0000000 -0.2585830), wk = 0.0036900 k( 174) = ( 0.2657659 -0.0000000 -0.2657659), wk = 0.0036900 k( 175) = ( 0.2729487 -0.0000000 -0.2729487), wk = 0.0036900 k( 176) = ( 0.2801316 -0.0000000 -0.2801316), wk = 0.0036900 k( 177) = ( 0.2873145 -0.0000000 -0.2873145), wk = 0.0036900 k( 178) = ( 0.2944973 -0.0000000 -0.2944973), wk = 0.0036900 k( 179) = ( 0.3016802 -0.0000000 -0.3016802), wk = 0.0036900 k( 180) = ( 0.3088630 0.0000000 -0.3088630), wk = 0.0036900 k( 181) = ( 0.3160459 -0.0000000 -0.3160459), wk = 0.0036900 k( 182) = ( 0.3232288 -0.0000000 -0.3232288), wk = 0.0036900 k( 183) = ( 0.3304116 -0.0000000 -0.3304116), wk = 0.0036900 k( 184) = ( 0.3375945 -0.0000000 -0.3375945), wk = 0.0036900 k( 185) = ( 0.3447774 -0.0000000 -0.3447774), wk = 0.0036900 k( 186) = ( 0.6552226 0.3447774 -0.0000000), wk = 0.0036900 k( 187) = ( 0.6481671 0.3518329 0.0000000), wk = 0.0036900 k( 188) = ( 0.6411115 0.3588885 -0.0000000), wk = 0.0036900 k( 189) = ( 0.6340559 0.3659441 -0.0000000), wk = 0.0036900 k( 190) = ( 0.6270003 0.3729997 -0.0000000), wk = 0.0036900 k( 191) = ( 0.6199448 0.3800552 -0.0000000), wk = 0.0036900 k( 192) = ( 0.6128892 0.3871108 -0.0000000), wk = 0.0036900 k( 193) = ( 0.6058336 0.3941664 -0.0000000), wk = 0.0036900 k( 194) = ( 0.5987780 0.4012219 -0.0000000), wk = 0.0036900 k( 195) = ( 0.5917225 0.4082775 -0.0000000), wk = 0.0036900 k( 196) = ( 0.5846669 0.4153331 -0.0000000), wk = 0.0036900 k( 197) = ( 0.5776113 0.4223887 -0.0000000), wk = 0.0036900 k( 198) = ( 0.5705558 0.4294442 -0.0000000), wk = 0.0036900 k( 199) = ( 0.5635002 0.4364998 -0.0000000), wk = 0.0036900 k( 200) = ( 0.5564446 0.4435554 -0.0000000), wk = 0.0036900 k( 201) = ( 0.5493890 0.4506110 -0.0000000), wk = 0.0036900 k( 202) = ( 0.5423334 0.4576665 -0.0000000), wk = 0.0036900 k( 203) = ( 0.5352779 0.4647221 -0.0000000), wk = 0.0036900 k( 204) = ( 0.5282223 0.4717777 -0.0000000), wk = 0.0036900 k( 205) = ( 0.5211667 0.4788333 -0.0000000), wk = 0.0036900 k( 206) = ( 0.5141111 0.4858888 -0.0000000), wk = 0.0036900 k( 207) = ( 0.5070556 0.4929444 -0.0000000), wk = 0.0036900 k( 208) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036900 k( 209) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036900 k( 210) = ( 0.5194028 0.5194028 0.0236943), wk = 0.0036900 k( 211) = ( 0.5388057 0.5388057 0.0473887), wk = 0.0036900 k( 212) = ( 0.5582085 0.5582085 0.0710830), wk = 0.0036900 k( 213) = ( 0.5776113 0.5776113 0.0947774), wk = 0.0036900 k( 214) = ( 0.5970142 0.5970142 0.1184717), wk = 0.0036900 k( 215) = ( 0.6164170 0.6164170 0.1421660), wk = 0.0036900 k( 216) = ( 0.6358198 0.6358198 0.1658604), wk = 0.0036900 k( 217) = ( 0.6552226 0.6552226 0.1895547), wk = 0.0036900 k( 218) = ( 0.6552226 0.6552226 0.1895547), wk = 0.0036900 k( 219) = ( 0.6510274 0.6510274 0.1979451), wk = 0.0036900 k( 220) = ( 0.6468322 0.6468322 0.2063355), wk = 0.0036900 k( 221) = ( 0.6426370 0.6426370 0.2147259), wk = 0.0036900 k( 222) = ( 0.6384418 0.6384418 0.2231164), wk = 0.0036900 k( 223) = ( 0.6342466 0.6342466 0.2315068), wk = 0.0036900 k( 224) = ( 0.6300514 0.6300514 0.2398972), wk = 0.0036900 k( 225) = ( 0.6258562 0.6258562 0.2482876), wk = 0.0036900 k( 226) = ( 0.6216610 0.6216610 0.2566780), wk = 0.0036900 k( 227) = ( 0.6174658 0.6174658 0.2650684), wk = 0.0036900 k( 228) = ( 0.6132706 0.6132706 0.2734588), wk = 0.0036900 k( 229) = ( 0.6090754 0.6090754 0.2818493), wk = 0.0036900 k( 230) = ( 0.6048802 0.6048802 0.2902397), wk = 0.0036900 k( 231) = ( 0.6006850 0.6006850 0.2986301), wk = 0.0036900 k( 232) = ( 0.5964898 0.5964897 0.3070205), wk = 0.0036900 k( 233) = ( 0.5922945 0.5922945 0.3154109), wk = 0.0036900 k( 234) = ( 0.5880993 0.5880993 0.3238013), wk = 0.0036900 k( 235) = ( 0.5839041 0.5839041 0.3321917), wk = 0.0036900 k( 236) = ( 0.5797089 0.5797089 0.3405821), wk = 0.0036900 k( 237) = ( 0.5755137 0.5755137 0.3489726), wk = 0.0036900 k( 238) = ( 0.5713185 0.5713185 0.3573630), wk = 0.0036900 k( 239) = ( 0.5671233 0.5671233 0.3657534), wk = 0.0036900 k( 240) = ( 0.5629281 0.5629281 0.3741438), wk = 0.0036900 k( 241) = ( 0.5587329 0.5587329 0.3825342), wk = 0.0036900 k( 242) = ( 0.5545377 0.5545377 0.3909246), wk = 0.0036900 k( 243) = ( 0.5503425 0.5503425 0.3993150), wk = 0.0036900 k( 244) = ( 0.5461473 0.5461473 0.4077055), wk = 0.0036900 k( 245) = ( 0.5419521 0.5419521 0.4160959), wk = 0.0036900 k( 246) = ( 0.5377569 0.5377569 0.4244863), wk = 0.0036900 k( 247) = ( 0.5335616 0.5335616 0.4328767), wk = 0.0036900 k( 248) = ( 0.5293665 0.5293665 0.4412671), wk = 0.0036900 k( 249) = ( 0.5251712 0.5251712 0.4496575), wk = 0.0036900 k( 250) = ( 0.5209760 0.5209760 0.4580479), wk = 0.0036900 k( 251) = ( 0.5167808 0.5167808 0.4664384), wk = 0.0036900 k( 252) = ( 0.5125856 0.5125856 0.4748288), wk = 0.0036900 k( 253) = ( 0.5083904 0.5083904 0.4832192), wk = 0.0036900 k( 254) = ( 0.5041952 0.5041952 0.4916096), wk = 0.0036900 k( 255) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036900 k( 256) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0036900 k( 257) = ( 0.5206964 0.0229852 0.0229852), wk = 0.0036900 k( 258) = ( 0.5413927 0.0459703 0.0459703), wk = 0.0036900 k( 259) = ( 0.5620891 0.0689555 0.0689555), wk = 0.0036900 k( 260) = ( 0.5827854 0.0919406 0.0919406), wk = 0.0036900 k( 261) = ( 0.6034818 0.1149258 0.1149258), wk = 0.0036900 k( 262) = ( 0.6241781 0.1379109 0.1379109), wk = 0.0036900 k( 263) = ( 0.6448745 0.1608961 0.1608961), wk = 0.0036900 k( 264) = ( 0.6655708 0.1838813 0.1838813), wk = 0.0036900 k( 265) = ( 0.6862672 0.2068664 0.2068664), wk = 0.0036900 k( 266) = ( 0.7069635 0.2298516 0.2298516), wk = 0.0036900 k( 267) = ( 0.7276599 0.2528367 0.2528367), wk = 0.0036900 k( 268) = ( 0.7483562 0.2758219 0.2758219), wk = 0.0036900 k( 269) = ( 0.7690526 0.2988070 0.2988070), wk = 0.0036900 k( 270) = ( 0.7897489 0.3217922 0.3217922), wk = 0.0036900 k( 271) = ( 0.8104453 0.3447774 0.3447774), wk = 0.0036900 Dense grid: 86057 G-vectors FFT dimensions: ( 90, 90, 90) Smooth grid: 42337 G-vectors FFT dimensions: ( 72, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.26 Mb ( 304, 56) NL pseudopotentials 0.23 Mb ( 152, 100) Each V/rho on FFT grid 0.37 Mb ( 24300) Each G-vector array 0.02 Mb ( 2391) G-vector shells 0.02 Mb ( 1997) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.04 Mb ( 304, 224) Each subspace H/S matrix 0.05 Mb ( 56, 56) Each matrix 0.17 Mb ( 100, 2, 56) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./H4NF2.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.2 secs Computing kpt #: 2 total cpu time spent up to now is 3.0 secs Computing kpt #: 3 total cpu time spent up to now is 3.8 secs Computing kpt #: 4 total cpu time spent up to now is 4.5 secs Computing kpt #: 5 total cpu time spent up to now is 5.3 secs Computing kpt #: 6 total cpu time spent up to now is 6.0 secs Computing kpt #: 7 total cpu time spent up to now is 6.8 secs Computing kpt #: 8 total cpu time spent up to now is 7.5 secs Computing kpt #: 9 total cpu time spent up to now is 8.2 secs Computing kpt #: 10 total cpu time spent up to now is 9.0 secs Computing kpt #: 11 total cpu time spent up to now is 9.7 secs Computing kpt #: 12 total cpu time spent up to now is 10.4 secs Computing kpt #: 13 total cpu time spent up to now is 11.2 secs Computing kpt #: 14 total cpu time spent up to now is 11.9 secs Computing kpt #: 15 total cpu 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Computing kpt #: 185 total cpu time spent up to now is 142.6 secs Computing kpt #: 186 total cpu time spent up to now is 143.4 secs Computing kpt #: 187 total cpu time spent up to now is 144.2 secs Computing kpt #: 188 total cpu time spent up to now is 145.0 secs Computing kpt #: 189 total cpu time spent up to now is 145.7 secs Computing kpt #: 190 total cpu time spent up to now is 146.5 secs Computing kpt #: 191 total cpu time spent up to now is 147.3 secs Computing kpt #: 192 total cpu time spent up to now is 148.1 secs Computing kpt #: 193 total cpu time spent up to now is 148.9 secs Computing kpt #: 194 total cpu time spent up to now is 149.7 secs Computing kpt #: 195 total cpu time spent up to now is 150.5 secs Computing kpt #: 196 total cpu time spent up to now is 151.3 secs Computing kpt #: 197 total cpu time spent up to now is 152.1 secs Computing kpt #: 198 total cpu time spent up to now is 152.9 secs Computing kpt #: 199 total cpu time spent up to now is 153.7 secs Computing kpt #: 200 total cpu time spent up to now is 154.5 secs Computing kpt #: 201 total cpu time spent up to now is 155.3 secs Computing kpt #: 202 total cpu time spent up to now is 156.0 secs Computing kpt #: 203 total cpu time spent up to now is 156.8 secs Computing kpt #: 204 total cpu time spent up to now is 157.6 secs Computing kpt #: 205 total cpu time spent up to now is 158.3 secs Computing kpt #: 206 total cpu time spent up to now is 159.1 secs Computing kpt #: 207 total cpu time spent up to now is 159.8 secs Computing kpt #: 208 total cpu time spent up to now is 160.6 secs Computing kpt #: 209 total cpu time spent up to now is 161.3 secs Computing kpt #: 210 total cpu time spent up to now is 162.1 secs Computing kpt #: 211 total cpu time spent up to now is 162.8 secs Computing kpt #: 212 total cpu time spent up to now is 163.5 secs Computing kpt #: 213 total cpu time spent up to now is 164.3 secs Computing kpt #: 214 total cpu time spent up to now is 165.0 secs Computing kpt #: 215 total cpu time spent up to now is 165.8 secs Computing kpt #: 216 total cpu time spent up to now is 166.6 secs Computing kpt #: 217 total cpu time spent up to now is 167.3 secs Computing kpt #: 218 total cpu time spent up to now is 168.1 secs Computing kpt #: 219 total cpu time spent up to now is 168.9 secs Computing kpt #: 220 total cpu time spent up to now is 169.7 secs Computing kpt #: 221 total cpu time spent up to now is 170.5 secs Computing kpt #: 222 total cpu time spent up to now is 171.2 secs Computing kpt #: 223 total cpu time spent up to now is 172.0 secs Computing kpt #: 224 total cpu time spent up to now is 172.8 secs Computing kpt #: 225 total cpu time spent up to now is 173.6 secs Computing kpt #: 226 total cpu time spent up to now is 174.4 secs Computing kpt #: 227 total cpu time spent up to now is 175.1 secs Computing kpt #: 228 total cpu time spent up to now is 175.9 secs Computing kpt #: 229 total cpu time spent up to now is 176.7 secs Computing kpt #: 230 total cpu time spent up to now is 177.5 secs Computing kpt #: 231 total cpu time spent up to now is 178.3 secs Computing kpt #: 232 total cpu time spent up to now is 179.1 secs Computing kpt #: 233 total cpu time spent up to now is 179.8 secs Computing kpt #: 234 total cpu time spent up to now is 180.6 secs Computing kpt #: 235 total cpu time spent up to now is 181.4 secs Computing kpt #: 236 total cpu time spent up to now is 182.2 secs Computing kpt #: 237 total cpu time spent up to now is 183.0 secs Computing kpt #: 238 total cpu time spent up to now is 183.8 secs Computing kpt #: 239 total cpu time spent up to now is 184.5 secs Computing kpt #: 240 total cpu time spent up to now is 185.3 secs Computing kpt #: 241 total cpu time spent up to now is 186.1 secs Computing kpt #: 242 total cpu time spent up to now is 186.9 secs Computing kpt #: 243 total cpu time spent up to now is 187.7 secs Computing kpt #: 244 total cpu time spent up to now is 188.4 secs Computing kpt #: 245 total cpu time spent up to now is 189.2 secs Computing kpt #: 246 total cpu time spent up to now is 189.9 secs Computing kpt #: 247 total cpu time spent up to now is 190.7 secs Computing kpt #: 248 total cpu time spent up to now is 191.5 secs Computing kpt #: 249 total cpu time spent up to now is 192.2 secs Computing kpt #: 250 total cpu time spent up to now is 193.0 secs Computing kpt #: 251 total cpu time spent up to now is 193.8 secs Computing kpt #: 252 total cpu time spent up to now is 194.5 secs Computing kpt #: 253 total cpu time spent up to now is 195.3 secs Computing kpt #: 254 total cpu time spent up to now is 196.1 secs Computing kpt #: 255 total cpu time spent up to now is 196.9 secs Computing kpt #: 256 total cpu time spent up to now is 197.7 secs Computing kpt #: 257 total cpu time spent up to now is 198.4 secs Computing kpt #: 258 total cpu time spent up to now is 199.2 secs Computing kpt #: 259 total cpu time spent up to now is 200.0 secs Computing kpt #: 260 total cpu time spent up to now is 200.7 secs Computing kpt #: 261 total cpu time spent up to now is 201.5 secs Computing kpt #: 262 total cpu time spent up to now is 202.3 secs Computing kpt #: 263 total cpu time spent up to now is 203.0 secs Computing kpt #: 264 total cpu time spent up to now is 203.8 secs Computing kpt #: 265 total cpu time spent up to now is 204.6 secs Computing kpt #: 266 total cpu time spent up to now is 205.5 secs Computing kpt #: 267 total cpu time spent up to now is 206.2 secs Computing kpt #: 268 total cpu time spent up to now is 207.0 secs Computing kpt #: 269 total cpu time spent up to now is 207.8 secs Computing kpt #: 270 total cpu time spent up to now is 208.6 secs Computing kpt #: 271 total cpu time spent up to now is 209.4 secs ethr = 2.17E-08, avg # of iterations = 17.1 total cpu time spent up to now is 209.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5263 PWs) bands (ev): -28.5180 -28.5180 -28.4353 -28.4353 -20.8755 -20.8755 -20.6741 -20.6741 -19.1220 -19.1220 -15.9694 -15.9694 -13.6312 -13.6312 -8.7245 -8.7245 -8.6987 -8.6987 -8.0265 -8.0265 -7.9931 -7.9931 -5.6653 -5.6653 -5.3272 -5.3272 -4.0943 -4.0943 -4.0685 -4.0685 -3.4298 -3.4298 -2.9931 -2.9931 -2.0531 -2.0531 -2.0186 -2.0186 -1.8046 -1.8046 -1.6505 -1.6505 -1.6135 -1.6135 -0.6227 -0.6227 -0.6020 -0.6020 3.1506 3.1506 3.1589 3.1589 3.1593 3.1593 3.4107 3.4107 k = 0.0122-0.0174-0.0107 ( 5265 PWs) bands (ev): -28.5180 -28.5180 -28.4354 -28.4354 -20.8755 -20.8755 -20.6741 -20.6741 -19.1220 -19.1220 -15.9694 -15.9694 -13.6312 -13.6312 -8.7250 -8.7250 -8.6992 -8.6992 -8.0268 -8.0268 -7.9933 -7.9933 -5.6645 -5.6645 -5.3268 -5.3268 -4.0936 -4.0936 -4.0678 -4.0678 -3.4298 -3.4298 -2.9949 -2.9949 -2.0533 -2.0533 -2.0189 -2.0189 -1.8043 -1.8043 -1.6505 -1.6505 -1.6135 -1.6135 -0.6215 -0.6215 -0.6007 -0.6007 3.1428 3.1428 3.1529 3.1529 3.1582 3.1582 3.4145 3.4145 k = 0.0244-0.0348-0.0214 ( 5269 PWs) bands (ev): -28.5180 -28.5180 -28.4354 -28.4354 -20.8753 -20.8753 -20.6743 -20.6743 -19.1219 -19.1219 -15.9693 -15.9693 -13.6313 -13.6313 -8.7266 -8.7266 -8.7006 -8.7006 -8.0275 -8.0275 -7.9941 -7.9941 -5.6622 -5.6622 -5.3255 -5.3255 -4.0918 -4.0918 -4.0653 -4.0653 -3.4300 -3.4300 -3.0001 -3.0001 -2.0538 -2.0538 -2.0197 -2.0197 -1.8037 -1.8037 -1.6505 -1.6505 -1.6135 -1.6135 -0.6190 -0.6190 -0.5959 -0.5959 3.1091 3.1091 3.1493 3.1493 3.1559 3.1559 3.4215 3.4215 k = 0.0366-0.0522-0.0321 ( 5281 PWs) bands (ev): -28.5179 -28.5179 -28.4354 -28.4354 -20.8750 -20.8750 -20.6746 -20.6746 -19.1218 -19.1218 -15.9692 -15.9692 -13.6313 -13.6313 -8.7295 -8.7295 -8.7027 -8.7027 -8.0288 -8.0288 -7.9952 -7.9952 -5.6583 -5.6583 -5.3234 -5.3234 -4.0898 -4.0898 -4.0602 -4.0602 -3.4303 -3.4303 -3.0087 -3.0087 -2.0546 -2.0546 -2.0210 -2.0210 -1.8027 -1.8027 -1.6504 -1.6504 -1.6134 -1.6134 -0.6168 -0.6168 -0.5858 -0.5858 3.0612 3.0612 3.1450 3.1450 3.1525 3.1525 3.4324 3.4324 k = 0.0488-0.0696-0.0429 ( 5283 PWs) bands (ev): -28.5178 -28.5178 -28.4354 -28.4354 -20.8746 -20.8746 -20.6751 -20.6751 -19.1217 -19.1217 -15.9690 -15.9690 -13.6314 -13.6314 -8.7339 -8.7339 -8.7051 -8.7051 -8.0306 -8.0306 -7.9968 -7.9968 -5.6528 -5.6528 -5.3206 -5.3206 -4.0884 -4.0884 -4.0516 -4.0516 -3.4307 -3.4307 -3.0206 -3.0206 -2.0559 -2.0559 -2.0225 -2.0225 -1.8014 -1.8014 -1.6502 -1.6502 -1.6133 -1.6133 -0.6157 -0.6157 -0.5700 -0.5700 3.0052 3.0052 3.1396 3.1396 3.1482 3.1482 3.4468 3.4468 k = 0.0610-0.0870-0.0536 ( 5283 PWs) bands (ev): -28.5177 -28.5177 -28.4354 -28.4354 -20.8740 -20.8740 -20.6756 -20.6756 -19.1215 -19.1215 -15.9688 -15.9688 -13.6315 -13.6315 -8.7401 -8.7401 -8.7075 -8.7075 -8.0331 -8.0331 -7.9987 -7.9987 -5.6459 -5.6459 -5.3171 -5.3171 -4.0879 -4.0879 -4.0394 -4.0394 -3.4314 -3.4314 -3.0354 -3.0354 -2.0577 -2.0577 -2.0242 -2.0242 -1.8000 -1.8000 -1.6500 -1.6500 -1.6132 -1.6132 -0.6155 -0.6155 -0.5489 -0.5489 2.9439 2.9439 3.1332 3.1332 3.1430 3.1430 3.4642 3.4642 k = 0.0732-0.1044-0.0643 ( 5281 PWs) bands (ev): -28.5176 -28.5176 -28.4354 -28.4354 -20.8733 -20.8733 -20.6763 -20.6763 -19.1212 -19.1212 -15.9685 -15.9685 -13.6316 -13.6316 -8.7483 -8.7483 -8.7098 -8.7098 -8.0362 -8.0362 -8.0008 -8.0008 -5.6374 -5.6374 -5.3129 -5.3129 -4.0881 -4.0881 -4.0236 -4.0236 -3.4323 -3.4323 -3.0529 -3.0529 -2.0601 -2.0601 -2.0257 -2.0257 -1.7986 -1.7986 -1.6497 -1.6497 -1.6129 -1.6129 -0.6157 -0.6157 -0.5233 -0.5233 2.8789 2.8789 3.1265 3.1265 3.1368 3.1368 3.4843 3.4843 k = 0.0854-0.1218-0.0750 ( 5279 PWs) bands (ev): -28.5174 -28.5174 -28.4355 -28.4355 -20.8725 -20.8725 -20.6771 -20.6771 -19.1210 -19.1210 -15.9681 -15.9681 -13.6318 -13.6318 -8.7582 -8.7582 -8.7120 -8.7120 -8.0400 -8.0400 -8.0030 -8.0030 -5.6275 -5.6275 -5.3082 -5.3082 -4.0890 -4.0890 -4.0046 -4.0046 -3.4335 -3.4335 -3.0727 -3.0727 -2.0630 -2.0630 -2.0270 -2.0270 -1.7974 -1.7974 -1.6492 -1.6492 -1.6125 -1.6125 -0.6163 -0.6163 -0.4936 -0.4936 2.8109 2.8109 3.1198 3.1198 3.1298 3.1298 3.5064 3.5064 k = 0.0976-0.1392-0.0857 ( 5281 PWs) bands (ev): -28.5172 -28.5172 -28.4355 -28.4355 -20.8716 -20.8716 -20.6780 -20.6780 -19.1207 -19.1207 -15.9678 -15.9678 -13.6319 -13.6319 -8.7699 -8.7699 -8.7140 -8.7140 -8.0445 -8.0445 -8.0053 -8.0053 -5.6161 -5.6161 -5.3031 -5.3031 -4.0902 -4.0902 -3.9825 -3.9825 -3.4352 -3.4352 -3.0945 -3.0945 -2.0664 -2.0664 -2.0280 -2.0280 -1.7963 -1.7963 -1.6486 -1.6486 -1.6119 -1.6119 -0.6171 -0.6171 -0.4603 -0.4603 2.7405 2.7405 3.1134 3.1134 3.1220 3.1220 3.5304 3.5304 k = 0.1098-0.1566-0.0964 ( 5281 PWs) bands (ev): -28.5170 -28.5170 -28.4355 -28.4355 -20.8706 -20.8706 -20.6790 -20.6790 -19.1204 -19.1204 -15.9673 -15.9673 -13.6321 -13.6321 -8.7830 -8.7830 -8.7159 -8.7159 -8.0498 -8.0498 -8.0076 -8.0076 -5.6033 -5.6033 -5.2977 -5.2977 -4.0918 -4.0918 -3.9576 -3.9576 -3.4375 -3.4375 -3.1177 -3.1177 -2.0703 -2.0703 -2.0288 -2.0288 -1.7955 -1.7955 -1.6479 -1.6479 -1.6111 -1.6111 -0.6181 -0.6181 -0.4238 -0.4238 2.6684 2.6684 3.1072 3.1072 3.1135 3.1135 3.5559 3.5559 k = 0.1220-0.1740-0.1071 ( 5282 PWs) bands (ev): -28.5167 -28.5167 -28.4356 -28.4356 -20.8695 -20.8695 -20.6801 -20.6801 -19.1200 -19.1200 -15.9668 -15.9668 -13.6323 -13.6323 -8.7975 -8.7975 -8.7179 -8.7179 -8.0559 -8.0559 -8.0099 -8.0099 -5.5892 -5.5892 -5.2920 -5.2920 -4.0936 -4.0936 -3.9302 -3.9302 -3.4406 -3.4406 -3.1418 -3.1418 -2.0745 -2.0745 -2.0292 -2.0292 -1.7950 -1.7950 -1.6469 -1.6469 -1.6101 -1.6101 -0.6193 -0.6193 -0.3846 -0.3846 2.5947 2.5947 3.1006 3.1006 3.1053 3.1053 3.5827 3.5827 k = 0.1341-0.1914-0.1178 ( 5288 PWs) bands (ev): -28.5165 -28.5165 -28.4356 -28.4356 -20.8682 -20.8682 -20.6813 -20.6813 -19.1196 -19.1196 -15.9663 -15.9663 -13.6325 -13.6325 -8.8132 -8.8132 -8.7199 -8.7199 -8.0625 -8.0625 -8.0122 -8.0122 -5.5738 -5.5738 -5.2862 -5.2862 -4.0956 -4.0956 -3.9004 -3.9004 -3.4448 -3.4448 -3.1660 -3.1660 -2.0791 -2.0791 -2.0295 -2.0295 -1.7948 -1.7948 -1.6459 -1.6459 -1.6089 -1.6089 -0.6206 -0.6206 -0.3431 -0.3431 2.5200 2.5200 3.0917 3.0917 3.0996 3.0996 3.6105 3.6105 k = 0.1463-0.2088-0.1286 ( 5286 PWs) bands (ev): -28.5162 -28.5162 -28.4357 -28.4357 -20.8669 -20.8669 -20.6826 -20.6826 -19.1192 -19.1192 -15.9658 -15.9658 -13.6328 -13.6328 -8.8298 -8.8298 -8.7219 -8.7219 -8.0698 -8.0698 -8.0144 -8.0144 -5.5571 -5.5571 -5.2803 -5.2803 -4.0979 -4.0979 -3.8688 -3.8688 -3.4504 -3.4504 -3.1895 -3.1895 -2.0837 -2.0837 -2.0295 -2.0295 -1.7949 -1.7949 -1.6446 -1.6446 -1.6075 -1.6075 -0.6222 -0.6222 -0.2999 -0.2999 2.4445 2.4445 3.0810 3.0810 3.0957 3.0957 3.6393 3.6393 k = 0.1585-0.2262-0.1393 ( 5286 PWs) bands (ev): -28.5159 -28.5159 -28.4358 -28.4358 -20.8654 -20.8654 -20.6841 -20.6841 -19.1187 -19.1187 -15.9652 -15.9652 -13.6330 -13.6330 -8.8473 -8.8473 -8.7239 -8.7239 -8.0777 -8.0777 -8.0167 -8.0167 -5.5392 -5.5392 -5.2744 -5.2744 -4.1003 -4.1003 -3.8358 -3.8358 -3.4577 -3.4577 -3.2114 -3.2114 -2.0885 -2.0885 -2.0295 -2.0295 -1.7952 -1.7952 -1.6432 -1.6432 -1.6059 -1.6059 -0.6238 -0.6238 -0.2553 -0.2553 2.3688 2.3688 3.0695 3.0695 3.0930 3.0930 3.6688 3.6688 k = 0.1707-0.2436-0.1500 ( 5283 PWs) bands (ev): -28.5156 -28.5156 -28.4358 -28.4358 -20.8639 -20.8639 -20.6856 -20.6856 -19.1183 -19.1183 -15.9646 -15.9646 -13.6333 -13.6333 -8.8655 -8.8655 -8.7260 -8.7260 -8.0860 -8.0860 -8.0188 -8.0188 -5.5202 -5.5202 -5.2685 -5.2685 -4.1028 -4.1028 -3.8022 -3.8022 -3.4669 -3.4669 -3.2306 -3.2306 -2.0934 -2.0934 -2.0293 -2.0293 -1.7956 -1.7956 -1.6416 -1.6416 -1.6040 -1.6040 -0.6257 -0.6257 -0.2099 -0.2099 2.2931 2.2931 3.0573 3.0573 3.0912 3.0912 3.6988 3.6988 k = 0.1829-0.2610-0.1607 ( 5288 PWs) bands (ev): -28.5153 -28.5153 -28.4359 -28.4359 -20.8623 -20.8623 -20.6872 -20.6872 -19.1178 -19.1178 -15.9639 -15.9639 -13.6336 -13.6336 -8.8843 -8.8843 -8.7282 -8.7282 -8.0947 -8.0947 -8.0210 -8.0210 -5.5001 -5.5001 -5.2628 -5.2628 -4.1055 -4.1055 -3.7694 -3.7694 -3.4776 -3.4776 -3.2463 -3.2463 -2.0982 -2.0982 -2.0291 -2.0291 -1.7961 -1.7961 -1.6400 -1.6400 -1.6019 -1.6019 -0.6277 -0.6277 -0.1644 -0.1644 2.2179 2.2179 3.0447 3.0447 3.0904 3.0904 3.7293 3.7293 k = 0.1951-0.2784-0.1714 ( 5288 PWs) bands (ev): -28.5150 -28.5150 -28.4360 -28.4360 -20.8605 -20.8605 -20.6890 -20.6890 -19.1173 -19.1173 -15.9633 -15.9633 -13.6338 -13.6338 -8.9034 -8.9034 -8.7304 -8.7304 -8.1037 -8.1037 -8.0232 -8.0232 -5.4791 -5.4791 -5.2571 -5.2571 -4.1082 -4.1082 -3.7393 -3.7393 -3.4888 -3.4888 -3.2574 -3.2574 -2.1031 -2.1031 -2.0289 -2.0289 -1.7966 -1.7966 -1.6381 -1.6381 -1.5996 -1.5996 -0.6298 -0.6298 -0.1191 -0.1191 2.1438 2.1438 3.0317 3.0317 3.0905 3.0905 3.7601 3.7601 k = 0.2073-0.2958-0.1821 ( 5296 PWs) bands (ev): -28.5146 -28.5146 -28.4360 -28.4360 -20.8587 -20.8587 -20.6908 -20.6908 -19.1167 -19.1167 -15.9626 -15.9626 -13.6341 -13.6341 -8.9229 -8.9229 -8.7326 -8.7326 -8.1129 -8.1129 -8.0254 -8.0254 -5.4572 -5.4572 -5.2515 -5.2515 -4.1111 -4.1111 -3.7152 -3.7152 -3.4976 -3.4976 -3.2635 -3.2635 -2.1079 -2.1079 -2.0286 -2.0286 -1.7971 -1.7971 -1.6362 -1.6362 -1.5970 -1.5970 -0.6321 -0.6321 -0.0749 -0.0749 2.0711 2.0711 3.0183 3.0183 3.0914 3.0914 3.7911 3.7911 k = 0.2195-0.3132-0.1928 ( 5301 PWs) bands (ev): -28.5143 -28.5143 -28.4361 -28.4361 -20.8568 -20.8568 -20.6926 -20.6926 -19.1162 -19.1162 -15.9619 -15.9619 -13.6344 -13.6344 -8.9426 -8.9426 -8.7349 -8.7349 -8.1224 -8.1224 -8.0275 -8.0275 -5.4345 -5.4345 -5.2460 -5.2460 -4.1140 -4.1140 -3.7018 -3.7018 -3.5000 -3.5000 -3.2640 -3.2640 -2.1126 -2.1126 -2.0283 -2.0283 -1.7973 -1.7973 -1.6342 -1.6342 -1.5943 -1.5943 -0.6345 -0.6345 -0.0322 -0.0322 2.0005 2.0005 3.0047 3.0047 3.0931 3.0931 3.8221 3.8221 k = 0.2317-0.3306-0.2035 ( 5296 PWs) bands (ev): -28.5139 -28.5139 -28.4362 -28.4362 -20.8549 -20.8549 -20.6946 -20.6946 -19.1156 -19.1156 -15.9612 -15.9612 -13.6347 -13.6347 -8.9622 -8.9622 -8.7372 -8.7372 -8.1319 -8.1319 -8.0297 -8.0297 -5.4112 -5.4112 -5.2404 -5.2404 -4.1169 -4.1169 -3.7024 -3.7024 -3.4934 -3.4934 -3.2584 -3.2584 -2.1171 -2.1171 -2.0280 -2.0280 -1.7973 -1.7973 -1.6321 -1.6321 -1.5914 -1.5914 -0.6370 -0.6370 0.0080 0.0080 1.9326 1.9326 2.9909 2.9909 3.0955 3.0955 3.8529 3.8529 k = 0.2439-0.3480-0.2143 ( 5295 PWs) bands (ev): -28.5135 -28.5135 -28.4363 -28.4363 -20.8528 -20.8528 -20.6966 -20.6966 -19.1151 -19.1151 -15.9605 -15.9605 -13.6350 -13.6350 -8.9818 -8.9818 -8.7395 -8.7395 -8.1415 -8.1415 -8.0318 -8.0318 -5.3874 -5.3874 -5.2347 -5.2347 -4.1198 -4.1198 -3.7165 -3.7165 -3.4791 -3.4791 -3.2460 -3.2460 -2.1216 -2.1216 -2.0278 -2.0278 -1.7968 -1.7968 -1.6300 -1.6300 -1.5883 -1.5883 -0.6397 -0.6397 0.0451 0.0451 1.8681 1.8681 2.9771 2.9771 3.0987 3.0987 3.8836 3.8836 k = 0.2561-0.3654-0.2250 ( 5295 PWs) bands (ev): -28.5132 -28.5132 -28.4363 -28.4363 -20.8507 -20.8507 -20.6987 -20.6987 -19.1145 -19.1145 -15.9598 -15.9598 -13.6354 -13.6354 -9.0013 -9.0013 -8.7418 -8.7418 -8.1510 -8.1510 -8.0339 -8.0339 -5.3636 -5.3636 -5.2285 -5.2285 -4.1228 -4.1228 -3.7402 -3.7402 -3.4617 -3.4617 -3.2263 -3.2263 -2.1259 -2.1259 -2.0275 -2.0275 -1.7959 -1.7959 -1.6277 -1.6277 -1.5851 -1.5851 -0.6424 -0.6424 0.0781 0.0781 1.8078 1.8078 2.9632 2.9632 3.1024 3.1024 3.9139 3.9139 k = 0.2683-0.3828-0.2357 ( 5290 PWs) bands (ev): -28.5128 -28.5128 -28.4364 -28.4364 -20.8486 -20.8486 -20.7008 -20.7008 -19.1140 -19.1140 -15.9591 -15.9591 -13.6357 -13.6357 -9.0204 -9.0204 -8.7441 -8.7441 -8.1605 -8.1605 -8.0360 -8.0360 -5.3401 -5.3401 -5.2216 -5.2216 -4.1257 -4.1257 -3.7700 -3.7700 -3.4451 -3.4451 -3.1990 -3.1990 -2.1301 -2.1301 -2.0273 -2.0273 -1.7945 -1.7945 -1.6254 -1.6254 -1.5817 -1.5817 -0.6452 -0.6452 0.1062 0.1062 1.7525 1.7525 2.9494 2.9494 3.1067 3.1067 3.9437 3.9437 k = 0.2805-0.4002-0.2464 ( 5297 PWs) bands (ev): -28.5124 -28.5124 -28.4365 -28.4365 -20.8464 -20.8464 -20.7030 -20.7030 -19.1134 -19.1134 -15.9584 -15.9584 -13.6360 -13.6360 -9.0391 -9.0391 -8.7463 -8.7463 -8.1699 -8.1699 -8.0380 -8.0380 -5.3176 -5.3176 -5.2133 -5.2133 -4.1286 -4.1286 -3.8036 -3.8036 -3.4311 -3.4311 -3.1649 -3.1649 -2.1340 -2.1340 -2.0271 -2.0271 -1.7923 -1.7923 -1.6229 -1.6229 -1.5783 -1.5783 -0.6480 -0.6480 0.1286 0.1286 1.7030 1.7030 2.9356 2.9356 3.1114 3.1114 3.9728 3.9728 k = 0.2927-0.4176-0.2571 ( 5287 PWs) bands (ev): -28.5121 -28.5121 -28.4366 -28.4366 -20.8442 -20.8442 -20.7052 -20.7052 -19.1129 -19.1129 -15.9577 -15.9577 -13.6363 -13.6363 -9.0573 -9.0573 -8.7485 -8.7485 -8.1790 -8.1790 -8.0400 -8.0400 -5.2971 -5.2971 -5.2025 -5.2025 -4.1314 -4.1314 -3.8396 -3.8396 -3.4200 -3.4200 -3.1254 -3.1254 -2.1378 -2.1378 -2.0270 -2.0270 -1.7895 -1.7895 -1.6203 -1.6203 -1.5748 -1.5748 -0.6509 -0.6509 0.1443 0.1443 1.6600 1.6600 2.9221 2.9221 3.1165 3.1165 4.0009 4.0009 k = 0.3049-0.4350-0.2678 ( 5293 PWs) bands (ev): -28.5117 -28.5117 -28.4367 -28.4367 -20.8420 -20.8420 -20.7074 -20.7074 -19.1123 -19.1123 -15.9570 -15.9570 -13.6366 -13.6366 -9.0749 -9.0749 -8.7507 -8.7507 -8.1879 -8.1879 -8.0419 -8.0419 -5.2799 -5.2799 -5.1883 -5.1883 -4.1342 -4.1342 -3.8770 -3.8770 -3.4114 -3.4114 -3.0821 -3.0821 -2.1412 -2.1412 -2.0269 -2.0269 -1.7858 -1.7858 -1.6175 -1.6175 -1.5712 -1.5712 -0.6537 -0.6537 0.1528 0.1528 1.6241 1.6241 2.9087 2.9087 3.1219 3.1219 4.0224 4.0224 k = 0.3171-0.4524-0.2785 ( 5307 PWs) bands (ev): -28.5114 -28.5114 -28.4367 -28.4367 -20.8397 -20.8397 -20.7097 -20.7097 -19.1118 -19.1118 -15.9564 -15.9564 -13.6368 -13.6368 -9.0919 -9.0919 -8.7528 -8.7528 -8.1966 -8.1966 -8.0438 -8.0438 -5.2665 -5.2665 -5.1700 -5.1700 -4.1368 -4.1368 -3.9154 -3.9154 -3.4047 -3.4047 -3.0365 -3.0365 -2.1444 -2.1444 -2.0268 -2.0268 -1.7812 -1.7812 -1.6144 -1.6144 -1.5676 -1.5676 -0.6566 -0.6566 0.1536 0.1536 1.5957 1.5957 2.8957 2.8957 3.1275 3.1275 4.0338 4.0338 k = 0.3293-0.4698-0.2892 ( 5308 PWs) bands (ev): -28.5111 -28.5111 -28.4368 -28.4368 -20.8375 -20.8375 -20.7119 -20.7119 -19.1113 -19.1113 -15.9558 -15.9558 -13.6371 -13.6371 -9.1082 -9.1082 -8.7548 -8.7548 -8.2049 -8.2049 -8.0456 -8.0456 -5.2567 -5.2567 -5.1479 -5.1479 -4.1394 -4.1394 -3.9543 -3.9543 -3.3993 -3.3993 -2.9898 -2.9898 -2.1473 -2.1473 -2.0267 -2.0267 -1.7757 -1.7757 -1.6111 -1.6111 -1.5641 -1.5641 -0.6594 -0.6594 0.1466 0.1466 1.5749 1.5749 2.8830 2.8830 3.1333 3.1333 4.0436 4.0436 k = 0.3415-0.4872-0.3000 ( 5310 PWs) bands (ev): -28.5107 -28.5107 -28.4369 -28.4369 -20.8352 -20.8352 -20.7141 -20.7141 -19.1108 -19.1108 -15.9552 -15.9552 -13.6374 -13.6374 -9.1236 -9.1236 -8.7568 -8.7568 -8.2128 -8.2128 -8.0473 -8.0473 -5.2497 -5.2497 -5.1229 -5.1229 -4.1419 -4.1419 -3.9933 -3.9933 -3.3949 -3.3949 -2.9432 -2.9432 -2.1499 -2.1499 -2.0266 -2.0266 -1.7693 -1.7693 -1.6074 -1.6074 -1.5605 -1.5605 -0.6622 -0.6622 0.1322 0.1322 1.5614 1.5614 2.8708 2.8708 3.1390 3.1390 4.0526 4.0526 k = 0.3537-0.5046-0.3107 ( 5311 PWs) bands (ev): -28.5104 -28.5104 -28.4370 -28.4370 -20.8330 -20.8330 -20.7163 -20.7163 -19.1103 -19.1103 -15.9546 -15.9546 -13.6376 -13.6376 -9.1381 -9.1381 -8.7586 -8.7586 -8.2203 -8.2203 -8.0489 -8.0489 -5.2446 -5.2446 -5.0960 -5.0960 -4.1443 -4.1443 -4.0323 -4.0323 -3.3912 -3.3912 -2.8974 -2.8974 -2.1521 -2.1521 -2.0266 -2.0266 -1.7620 -1.7620 -1.6032 -1.6032 -1.5570 -1.5570 -0.6649 -0.6649 0.1109 0.1109 1.5547 1.5547 2.8590 2.8590 3.1448 3.1448 4.0607 4.0607 k = 0.3659-0.5220-0.3214 ( 5302 PWs) bands (ev): -28.5101 -28.5101 -28.4370 -28.4370 -20.8309 -20.8309 -20.7185 -20.7185 -19.1099 -19.1099 -15.9540 -15.9540 -13.6378 -13.6378 -9.1517 -9.1517 -8.7603 -8.7603 -8.2273 -8.2273 -8.0504 -8.0504 -5.2408 -5.2408 -5.0679 -5.0679 -4.1465 -4.1465 -4.0708 -4.0708 -3.3882 -3.3882 -2.8532 -2.8532 -2.1540 -2.1540 -2.0266 -2.0266 -1.7540 -1.7540 -1.5984 -1.5984 -1.5536 -1.5536 -0.6675 -0.6675 0.0838 0.0838 1.5537 1.5537 2.8477 2.8477 3.1504 3.1504 4.0682 4.0682 k = 0.3780-0.5394-0.3321 ( 5295 PWs) bands (ev): -28.5099 -28.5099 -28.4371 -28.4371 -20.8288 -20.8288 -20.7206 -20.7206 -19.1095 -19.1095 -15.9535 -15.9535 -13.6380 -13.6380 -9.1643 -9.1643 -8.7620 -8.7620 -8.2338 -8.2338 -8.0519 -8.0519 -5.2378 -5.2378 -5.0392 -5.0392 -4.1487 -4.1487 -4.1087 -4.1087 -3.3855 -3.3855 -2.8114 -2.8114 -2.1555 -2.1555 -2.0266 -2.0266 -1.7453 -1.7453 -1.5930 -1.5930 -1.5502 -1.5502 -0.6699 -0.6699 0.0520 0.0520 1.5576 1.5576 2.8371 2.8371 3.1558 3.1558 4.0749 4.0749 k = 0.3902-0.5568-0.3428 ( 5301 PWs) bands (ev): -28.5096 -28.5096 -28.4371 -28.4371 -20.8268 -20.8268 -20.7225 -20.7225 -19.1091 -19.1091 -15.9531 -15.9531 -13.6382 -13.6382 -9.1758 -9.1758 -8.7634 -8.7634 -8.2399 -8.2399 -8.0532 -8.0532 -5.2356 -5.2356 -5.0103 -5.0103 -4.1523 -4.1523 -4.1441 -4.1441 -3.3832 -3.3832 -2.7724 -2.7724 -2.1566 -2.1566 -2.0266 -2.0266 -1.7364 -1.7364 -1.5868 -1.5868 -1.5468 -1.5468 -0.6722 -0.6722 0.0169 0.0169 1.5651 1.5651 2.8271 2.8271 3.1609 3.1609 4.0808 4.0808 k = 0.4024-0.5742-0.3535 ( 5310 PWs) bands (ev): -28.5094 -28.5094 -28.4372 -28.4372 -20.8249 -20.8249 -20.7244 -20.7244 -19.1088 -19.1088 -15.9526 -15.9526 -13.6384 -13.6384 -9.1862 -9.1862 -8.7648 -8.7648 -8.2453 -8.2453 -8.0544 -8.0544 -5.2338 -5.2338 -4.9817 -4.9817 -4.1826 -4.1826 -4.1516 -4.1516 -3.3813 -3.3813 -2.7368 -2.7368 -2.1574 -2.1574 -2.0267 -2.0267 -1.7275 -1.7275 -1.5799 -1.5799 -1.5433 -1.5433 -0.6744 -0.6744 -0.0201 -0.0201 1.5750 1.5750 2.8179 2.8179 3.1656 3.1656 4.0862 4.0862 k = 0.4146-0.5916-0.3642 ( 5304 PWs) bands (ev): -28.5092 -28.5092 -28.4373 -28.4373 -20.8231 -20.8231 -20.7262 -20.7262 -19.1084 -19.1084 -15.9523 -15.9523 -13.6386 -13.6386 -9.1955 -9.1955 -8.7660 -8.7660 -8.2502 -8.2502 -8.0554 -8.0554 -5.2323 -5.2323 -4.9536 -4.9536 -4.2168 -4.2168 -4.1533 -4.1533 -3.3796 -3.3796 -2.7049 -2.7049 -2.1579 -2.1579 -2.0267 -2.0267 -1.7189 -1.7189 -1.5725 -1.5725 -1.5396 -1.5396 -0.6763 -0.6763 -0.0575 -0.0575 1.5865 1.5865 2.8095 2.8095 3.1700 3.1700 4.0908 4.0908 k = 0.4268-0.6090-0.3749 ( 5310 PWs) bands (ev): -28.5090 -28.5090 -28.4373 -28.4373 -20.8216 -20.8216 -20.7278 -20.7278 -19.1082 -19.1082 -15.9519 -15.9519 -13.6387 -13.6387 -9.2037 -9.2037 -8.7671 -8.7671 -8.2545 -8.2545 -8.0564 -8.0564 -5.2312 -5.2312 -4.9267 -4.9267 -4.2492 -4.2492 -4.1547 -4.1547 -3.3782 -3.3782 -2.6769 -2.6769 -2.1582 -2.1582 -2.0267 -2.0267 -1.7111 -1.7111 -1.5650 -1.5650 -1.5353 -1.5353 -0.6780 -0.6780 -0.0939 -0.0939 1.5984 1.5984 2.8020 2.8020 3.1739 3.1739 4.0948 4.0948 k = 0.4390-0.6264-0.3857 ( 5314 PWs) bands (ev): -28.5089 -28.5089 -28.4373 -28.4373 -20.8201 -20.8201 -20.7292 -20.7292 -19.1079 -19.1079 -15.9516 -15.9516 -13.6389 -13.6389 -9.2106 -9.2106 -8.7680 -8.7680 -8.2581 -8.2581 -8.0572 -8.0572 -5.2303 -5.2303 -4.9015 -4.9015 -4.2790 -4.2790 -4.1559 -4.1559 -3.3770 -3.3770 -2.6533 -2.6533 -2.1583 -2.1583 -2.0268 -2.0268 -1.7043 -1.7043 -1.5582 -1.5582 -1.5302 -1.5302 -0.6795 -0.6795 -0.1279 -0.1279 1.6099 1.6099 2.7955 2.7955 3.1773 3.1773 4.0981 4.0981 k = 0.4512-0.6438-0.3964 ( 5313 PWs) bands (ev): -28.5087 -28.5087 -28.4374 -28.4374 -20.8189 -20.8189 -20.7304 -20.7304 -19.1077 -19.1077 -15.9514 -15.9514 -13.6390 -13.6390 -9.2163 -9.2163 -8.7688 -8.7688 -8.2611 -8.2611 -8.0578 -8.0578 -5.2296 -5.2296 -4.8787 -4.8787 -4.3055 -4.3055 -4.1568 -4.1568 -3.3760 -3.3760 -2.6338 -2.6338 -2.1582 -2.1582 -2.0268 -2.0268 -1.6988 -1.6988 -1.5529 -1.5529 -1.5242 -1.5242 -0.6807 -0.6807 -0.1580 -0.1580 1.6203 1.6203 2.7900 2.7900 3.1802 3.1802 4.1009 4.1009 k = 0.4634-0.6612-0.4071 ( 5314 PWs) bands (ev): -28.5086 -28.5086 -28.4374 -28.4374 -20.8180 -20.8180 -20.7314 -20.7314 -19.1076 -19.1076 -15.9512 -15.9512 -13.6390 -13.6390 -9.2208 -9.2208 -8.7694 -8.7694 -8.2635 -8.2635 -8.0584 -8.0584 -5.2291 -5.2291 -4.8594 -4.8594 -4.3278 -4.3278 -4.1576 -4.1576 -3.3752 -3.3752 -2.6188 -2.6188 -2.1580 -2.1580 -2.0268 -2.0268 -1.6944 -1.6944 -1.5491 -1.5491 -1.5179 -1.5179 -0.6817 -0.6817 -0.1830 -0.1830 1.6290 1.6290 2.7857 2.7857 3.1824 3.1824 4.1030 4.1030 k = 0.4756-0.6786-0.4178 ( 5292 PWs) bands (ev): -28.5086 -28.5086 -28.4374 -28.4374 -20.8172 -20.8172 -20.7321 -20.7321 -19.1075 -19.1075 -15.9511 -15.9511 -13.6391 -13.6391 -9.2240 -9.2240 -8.7698 -8.7698 -8.2652 -8.2652 -8.0587 -8.0587 -5.2288 -5.2288 -4.8444 -4.8444 -4.3448 -4.3448 -4.1581 -4.1581 -3.3747 -3.3747 -2.6081 -2.6081 -2.1579 -2.1579 -2.0268 -2.0268 -1.6914 -1.6914 -1.5468 -1.5468 -1.5123 -1.5123 -0.6824 -0.6824 -0.2018 -0.2018 1.6356 1.6356 2.7825 2.7825 3.1840 3.1840 4.1045 4.1045 k = 0.4878-0.6960-0.4285 ( 5296 PWs) bands (ev): -28.5085 -28.5085 -28.4374 -28.4374 -20.8168 -20.8168 -20.7325 -20.7325 -19.1074 -19.1074 -15.9510 -15.9510 -13.6391 -13.6391 -9.2259 -9.2259 -8.7700 -8.7700 -8.2662 -8.2662 -8.0590 -8.0590 -5.2285 -5.2285 -4.8350 -4.8350 -4.3556 -4.3556 -4.1584 -4.1584 -3.3744 -3.3744 -2.6016 -2.6016 -2.1578 -2.1578 -2.0268 -2.0268 -1.6895 -1.6895 -1.5455 -1.5455 -1.5084 -1.5084 -0.6828 -0.6828 -0.2134 -0.2134 1.6396 1.6396 2.7806 2.7806 3.1850 3.1850 4.1054 4.1054 k = 0.5000-0.7134-0.4392 ( 5296 PWs) bands (ev): -28.5085 -28.5085 -28.4374 -28.4374 -20.8167 -20.8167 -20.7326 -20.7326 -19.1074 -19.1074 -15.9510 -15.9510 -13.6391 -13.6391 -9.2265 -9.2265 -8.7701 -8.7701 -8.2665 -8.2665 -8.0590 -8.0590 -5.2285 -5.2285 -4.8317 -4.8317 -4.3593 -4.3593 -4.1586 -4.1586 -3.3742 -3.3742 -2.5995 -2.5995 -2.1577 -2.1577 -2.0268 -2.0268 -1.6889 -1.6889 -1.5451 -1.5451 -1.5071 -1.5071 -0.6830 -0.6830 -0.2174 -0.2174 1.6410 1.6410 2.7800 2.7800 3.1854 3.1854 4.1057 4.1057 k = 0.5000-0.7134-0.4392 ( 5296 PWs) bands (ev): -28.5085 -28.5085 -28.4374 -28.4374 -20.8167 -20.8167 -20.7326 -20.7326 -19.1074 -19.1074 -15.9510 -15.9510 -13.6391 -13.6391 -9.2265 -9.2265 -8.7701 -8.7701 -8.2665 -8.2665 -8.0590 -8.0590 -5.2285 -5.2285 -4.8317 -4.8317 -4.3593 -4.3593 -4.1586 -4.1586 -3.3742 -3.3742 -2.5995 -2.5995 -2.1577 -2.1577 -2.0268 -2.0268 -1.6889 -1.6889 -1.5451 -1.5451 -1.5071 -1.5071 -0.6830 -0.6830 -0.2174 -0.2174 1.6410 1.6410 2.7800 2.7800 3.1854 3.1854 4.1057 4.1057 k = 0.5000-0.7007-0.4599 ( 5294 PWs) bands (ev): -28.5085 -28.5085 -28.4374 -28.4374 -20.8166 -20.8166 -20.7327 -20.7327 -19.1074 -19.1074 -15.9510 -15.9510 -13.6391 -13.6391 -9.2262 -9.2262 -8.7712 -8.7712 -8.2660 -8.2660 -8.0593 -8.0593 -5.2279 -5.2279 -4.8317 -4.8317 -4.3683 -4.3683 -4.1481 -4.1481 -3.3741 -3.3741 -2.6002 -2.6002 -2.1583 -2.1583 -2.0266 -2.0266 -1.6897 -1.6897 -1.5454 -1.5454 -1.5103 -1.5103 -0.6779 -0.6779 -0.2165 -0.2165 1.6364 1.6364 2.7807 2.7807 3.1884 3.1884 4.1056 4.1056 k = 0.5000-0.6880-0.4805 ( 5300 PWs) bands (ev): -28.5085 -28.5085 -28.4374 -28.4374 -20.8164 -20.8164 -20.7329 -20.7329 -19.1074 -19.1074 -15.9509 -15.9509 -13.6392 -13.6392 -9.2254 -9.2254 -8.7743 -8.7743 -8.2643 -8.2643 -8.0600 -8.0600 -5.2262 -5.2262 -4.8316 -4.8316 -4.3913 -4.3913 -4.1211 -4.1211 -3.3736 -3.3736 -2.6022 -2.6022 -2.1600 -2.1600 -2.0261 -2.0261 -1.6920 -1.6920 -1.5476 -1.5476 -1.5185 -1.5185 -0.6631 -0.6631 -0.2139 -0.2139 1.6228 1.6228 2.7829 2.7829 3.1972 3.1972 4.1052 4.1052 k = 0.5000-0.6752-0.5011 ( 5304 PWs) bands (ev): -28.5084 -28.5084 -28.4375 -28.4375 -20.8161 -20.8161 -20.7332 -20.7332 -19.1074 -19.1074 -15.9508 -15.9508 -13.6392 -13.6392 -9.2240 -9.2240 -8.7795 -8.7795 -8.2616 -8.2616 -8.0611 -8.0611 -5.2233 -5.2233 -4.8315 -4.8315 -4.4214 -4.4214 -4.0841 -4.0841 -3.3729 -3.3729 -2.6057 -2.6057 -2.1629 -2.1629 -2.0253 -2.0253 -1.6957 -1.6957 -1.5561 -1.5561 -1.5261 -1.5261 -0.6394 -0.6394 -0.2096 -0.2096 1.6005 1.6005 2.7866 2.7866 3.2116 3.2116 4.1045 4.1045 k = 0.5000-0.6625-0.5217 ( 5312 PWs) bands (ev): -28.5084 -28.5084 -28.4375 -28.4375 -20.8157 -20.8157 -20.7336 -20.7336 -19.1074 -19.1074 -15.9507 -15.9507 -13.6392 -13.6392 -9.2220 -9.2220 -8.7865 -8.7865 -8.2580 -8.2580 -8.0627 -8.0627 -5.2193 -5.2193 -4.8314 -4.8314 -4.4546 -4.4546 -4.0416 -4.0416 -3.3718 -3.3718 -2.6106 -2.6106 -2.1669 -2.1669 -2.0243 -2.0243 -1.7008 -1.7008 -1.5746 -1.5746 -1.5281 -1.5281 -0.6082 -0.6082 -0.2036 -0.2036 1.5702 1.5702 2.7918 2.7918 3.2309 3.2309 4.1036 4.1036 k = 0.5000-0.6498-0.5424 ( 5322 PWs) bands (ev): -28.5083 -28.5083 -28.4375 -28.4375 -20.8151 -20.8151 -20.7341 -20.7341 -19.1073 -19.1073 -15.9506 -15.9506 -13.6393 -13.6393 -9.2195 -9.2195 -8.7954 -8.7954 -8.2535 -8.2535 -8.0648 -8.0648 -5.2142 -5.2142 -4.8313 -4.8313 -4.4887 -4.4887 -3.9956 -3.9956 -3.3703 -3.3703 -2.6170 -2.6170 -2.1721 -2.1721 -2.0232 -2.0232 -1.7071 -1.7071 -1.5994 -1.5994 -1.5269 -1.5269 -0.5709 -0.5709 -0.1958 -0.1958 1.5324 1.5324 2.7983 2.7983 3.2545 3.2545 4.1024 4.1024 k = 0.5000-0.6371-0.5630 ( 5318 PWs) bands (ev): -28.5082 -28.5082 -28.4376 -28.4376 -20.8144 -20.8144 -20.7348 -20.7348 -19.1073 -19.1073 -15.9504 -15.9504 -13.6394 -13.6394 -9.2165 -9.2165 -8.8058 -8.8058 -8.2483 -8.2483 -8.0672 -8.0672 -5.2079 -5.2079 -4.8312 -4.8312 -4.5227 -4.5227 -3.9473 -3.9473 -3.3685 -3.3685 -2.6251 -2.6251 -2.1784 -2.1784 -2.0222 -2.0222 -1.7144 -1.7144 -1.6272 -1.6272 -1.5242 -1.5242 -0.5289 -0.5289 -0.1863 -0.1863 1.4881 1.4881 2.8063 2.8063 3.2816 3.2816 4.1009 4.1009 k = 0.5000-0.6244-0.5836 ( 5318 PWs) bands (ev): -28.5081 -28.5081 -28.4376 -28.4376 -20.8136 -20.8136 -20.7355 -20.7355 -19.1073 -19.1073 -15.9502 -15.9502 -13.6395 -13.6395 -9.2128 -9.2128 -8.8176 -8.8176 -8.2424 -8.2424 -8.0701 -8.0701 -5.2006 -5.2006 -4.8310 -4.8310 -4.5561 -4.5561 -3.8974 -3.8974 -3.3663 -3.3663 -2.6349 -2.6349 -2.1860 -2.1860 -2.0213 -2.0213 -1.7229 -1.7229 -1.6557 -1.6557 -1.5209 -1.5209 -0.4832 -0.4832 -0.1750 -0.1750 1.4379 1.4379 2.8156 2.8156 3.3116 3.3116 4.0992 4.0992 k = 0.5000-0.6117-0.6043 ( 5316 PWs) bands (ev): -28.5080 -28.5080 -28.4377 -28.4377 -20.8127 -20.8127 -20.7364 -20.7364 -19.1073 -19.1073 -15.9500 -15.9500 -13.6396 -13.6396 -9.2087 -9.2087 -8.8307 -8.8307 -8.2360 -8.2360 -8.0733 -8.0733 -5.1922 -5.1922 -4.8308 -4.8308 -4.5887 -4.5887 -3.8464 -3.8464 -3.3635 -3.3635 -2.6465 -2.6465 -2.1948 -2.1948 -2.0207 -2.0207 -1.7324 -1.7324 -1.6833 -1.6833 -1.5172 -1.5172 -0.4350 -0.4350 -0.1621 -0.1621 1.3827 1.3827 2.8262 2.8262 3.3436 3.3436 4.0971 4.0971 k = 0.5000-0.5990-0.6249 ( 5314 PWs) bands (ev): -28.5079 -28.5079 -28.4378 -28.4378 -20.8117 -20.8117 -20.7374 -20.7374 -19.1073 -19.1073 -15.9497 -15.9497 -13.6397 -13.6397 -9.2039 -9.2039 -8.8448 -8.8448 -8.2293 -8.2293 -8.0769 -8.0769 -5.1827 -5.1827 -4.8307 -4.8307 -4.6202 -4.6202 -3.7947 -3.7947 -3.3602 -3.3602 -2.6601 -2.6601 -2.2049 -2.2049 -2.0205 -2.0205 -1.7434 -1.7434 -1.7084 -1.7084 -1.5133 -1.5133 -0.3850 -0.3850 -0.1473 -0.1473 1.3231 1.3231 2.8381 2.8381 3.3771 3.3771 4.0948 4.0948 k = 0.5000-0.5863-0.6455 ( 5304 PWs) bands (ev): -28.5078 -28.5078 -28.4378 -28.4378 -20.8105 -20.8105 -20.7385 -20.7385 -19.1073 -19.1073 -15.9494 -15.9494 -13.6399 -13.6399 -9.1987 -9.1987 -8.8598 -8.8598 -8.2223 -8.2223 -8.0808 -8.0808 -5.1723 -5.1723 -4.8305 -4.8305 -4.6507 -4.6507 -3.7428 -3.7428 -3.3561 -3.3561 -2.6759 -2.6759 -2.2162 -2.2162 -2.0208 -2.0208 -1.7566 -1.7566 -1.7295 -1.7295 -1.5094 -1.5094 -0.3338 -0.3338 -0.1309 -0.1309 1.2598 1.2598 2.8511 2.8511 3.4115 3.4115 4.0921 4.0921 k = 0.5000-0.5736-0.6662 ( 5308 PWs) bands (ev): -28.5076 -28.5076 -28.4379 -28.4379 -20.8092 -20.8092 -20.7397 -20.7397 -19.1073 -19.1073 -15.9491 -15.9491 -13.6400 -13.6400 -9.1929 -9.1929 -8.8754 -8.8754 -8.2151 -8.2151 -8.0850 -8.0850 -5.1608 -5.1608 -4.8304 -4.8304 -4.6800 -4.6800 -3.6913 -3.6913 -3.3510 -3.3510 -2.6940 -2.6940 -2.2286 -2.2286 -2.0217 -2.0217 -1.7718 -1.7718 -1.7458 -1.7458 -1.5054 -1.5054 -0.2821 -0.2821 -0.1127 -0.1127 1.1934 1.1934 2.8652 2.8652 3.4463 3.4463 4.0891 4.0891 k = 0.5000-0.5609-0.6868 ( 5306 PWs) bands (ev): -28.5074 -28.5074 -28.4380 -28.4380 -20.8079 -20.8079 -20.7410 -20.7410 -19.1074 -19.1074 -15.9488 -15.9488 -13.6401 -13.6401 -9.1865 -9.1865 -8.8915 -8.8915 -8.2079 -8.2079 -8.0895 -8.0895 -5.1485 -5.1485 -4.8302 -4.8302 -4.7082 -4.7082 -3.6406 -3.6406 -3.3445 -3.3445 -2.7144 -2.7144 -2.2420 -2.2420 -2.0231 -2.0231 -1.7872 -1.7872 -1.7587 -1.7587 -1.5016 -1.5016 -0.2302 -0.2302 -0.0927 -0.0927 1.1244 1.1244 2.8803 2.8803 3.4809 3.4809 4.0857 4.0857 k = 0.5000-0.5482-0.7074 ( 5304 PWs) bands (ev): -28.5073 -28.5073 -28.4381 -28.4381 -20.8064 -20.8064 -20.7424 -20.7424 -19.1074 -19.1074 -15.9484 -15.9484 -13.6403 -13.6403 -9.1797 -9.1797 -8.9079 -8.9079 -8.2006 -8.2006 -8.0941 -8.0941 -5.1352 -5.1352 -4.8301 -4.8301 -4.7352 -4.7352 -3.5917 -3.5917 -3.3360 -3.3360 -2.7373 -2.7373 -2.2562 -2.2562 -2.0250 -2.0250 -1.8011 -1.8011 -1.7698 -1.7698 -1.4978 -1.4978 -0.1786 -0.1786 -0.0709 -0.0709 1.0533 1.0533 2.8961 2.8961 3.5152 3.5152 4.0820 4.0820 k = 0.5000-0.5355-0.7280 ( 5296 PWs) bands (ev): -28.5071 -28.5071 -28.4382 -28.4382 -20.8048 -20.8048 -20.7439 -20.7439 -19.1075 -19.1075 -15.9481 -15.9481 -13.6404 -13.6404 -9.1723 -9.1723 -8.9245 -8.9245 -8.1934 -8.1934 -8.0989 -8.0989 -5.1212 -5.1212 -4.8301 -4.8301 -4.7611 -4.7611 -3.5460 -3.5460 -3.3245 -3.3245 -2.7626 -2.7626 -2.2708 -2.2708 -2.0272 -2.0272 -1.8127 -1.8127 -1.7799 -1.7799 -1.4942 -1.4942 -0.1276 -0.1276 -0.0474 -0.0474 0.9805 0.9805 2.9126 2.9126 3.5486 3.5486 4.0778 4.0778 k = 0.5000-0.5228-0.7487 ( 5300 PWs) bands (ev): -28.5069 -28.5069 -28.4384 -28.4384 -20.8031 -20.8031 -20.7455 -20.7455 -19.1076 -19.1076 -15.9477 -15.9477 -13.6407 -13.6407 -9.1645 -9.1645 -8.9412 -8.9412 -8.1864 -8.1864 -8.1038 -8.1038 -5.1064 -5.1064 -4.8301 -4.8301 -4.7858 -4.7858 -3.5050 -3.5050 -3.3085 -3.3085 -2.7904 -2.7904 -2.2855 -2.2855 -2.0295 -2.0295 -1.8221 -1.8221 -1.7890 -1.7890 -1.4907 -1.4907 -0.0775 -0.0775 -0.0220 -0.0220 0.9065 0.9065 2.9295 2.9295 3.5810 3.5810 4.0732 4.0732 k = 0.5000-0.5101-0.7693 ( 5306 PWs) bands (ev): -28.5067 -28.5067 -28.4385 -28.4385 -20.8013 -20.8013 -20.7472 -20.7472 -19.1077 -19.1077 -15.9473 -15.9473 -13.6409 -13.6409 -9.1562 -9.1562 -8.9577 -8.9577 -8.1795 -8.1795 -8.1087 -8.1087 -5.0910 -5.0910 -4.8306 -4.8306 -4.8089 -4.8089 -3.4706 -3.4706 -3.2864 -3.2864 -2.8205 -2.8205 -2.3000 -2.3000 -2.0318 -2.0318 -1.8300 -1.8300 -1.7969 -1.7969 -1.4875 -1.4875 -0.0287 -0.0287 0.0053 0.0053 0.8317 0.8317 2.9466 2.9466 3.6120 3.6120 4.0675 4.0675 k = 0.5000-0.4974-0.7899 ( 5300 PWs) bands (ev): -28.5065 -28.5065 -28.4387 -28.4387 -20.7994 -20.7994 -20.7489 -20.7489 -19.1078 -19.1078 -15.9469 -15.9469 -13.6411 -13.6411 -9.1474 -9.1474 -8.9740 -8.9740 -8.1730 -8.1730 -8.1135 -8.1135 -5.0751 -5.0751 -4.8372 -4.8372 -4.8247 -4.8247 -3.4440 -3.4440 -3.2575 -3.2575 -2.8528 -2.8528 -2.3140 -2.3140 -2.0339 -2.0339 -1.8370 -1.8370 -1.8032 -1.8032 -1.4845 -1.4845 0.0180 0.0180 0.0350 0.0350 0.7564 0.7564 2.9638 2.9638 3.6415 3.6415 4.0532 4.0532 k = 0.5000-0.4847-0.8106 ( 5302 PWs) bands (ev): -28.5063 -28.5063 -28.4388 -28.4388 -20.7974 -20.7974 -20.7508 -20.7508 -19.1080 -19.1080 -15.9465 -15.9465 -13.6413 -13.6413 -9.1381 -9.1381 -8.9898 -8.9898 -8.1670 -8.1670 -8.1179 -8.1179 -5.0589 -5.0589 -4.8566 -4.8566 -4.8265 -4.8265 -3.4246 -3.4246 -3.2225 -3.2225 -2.8869 -2.8869 -2.3273 -2.3273 -2.0356 -2.0356 -1.8438 -1.8438 -1.8076 -1.8076 -1.4818 -1.4818 0.0593 0.0593 0.0703 0.0703 0.6811 0.6811 2.9806 2.9806 3.6693 3.6693 4.0314 4.0314 k = 0.5000-0.4720-0.8312 ( 5294 PWs) bands (ev): -28.5061 -28.5061 -28.4390 -28.4390 -20.7954 -20.7954 -20.7527 -20.7527 -19.1082 -19.1082 -15.9461 -15.9461 -13.6416 -13.6416 -9.1285 -9.1285 -9.0052 -9.0052 -8.1618 -8.1618 -8.1217 -8.1217 -5.0427 -5.0427 -4.8772 -4.8772 -4.8258 -4.8258 -3.4108 -3.4108 -3.1834 -3.1834 -2.9226 -2.9226 -2.3398 -2.3398 -2.0369 -2.0369 -1.8508 -1.8508 -1.8100 -1.8100 -1.4794 -1.4794 0.0937 0.0937 0.1124 0.1124 0.6062 0.6062 2.9968 2.9968 3.6952 3.6952 4.0089 4.0089 k = 0.5000-0.4593-0.8518 ( 5288 PWs) bands (ev): -28.5059 -28.5059 -28.4392 -28.4392 -20.7932 -20.7932 -20.7547 -20.7547 -19.1084 -19.1084 -15.9457 -15.9457 -13.6418 -13.6418 -9.1184 -9.1184 -9.0199 -9.0199 -8.1580 -8.1580 -8.1243 -8.1243 -5.0268 -5.0268 -4.8971 -4.8971 -4.8241 -4.8241 -3.4009 -3.4009 -3.1423 -3.1423 -2.9596 -2.9596 -2.3514 -2.3514 -2.0377 -2.0377 -1.8579 -1.8579 -1.8105 -1.8105 -1.4773 -1.4773 0.1272 0.1272 0.1546 0.1546 0.5325 0.5325 3.0119 3.0119 3.7190 3.7190 3.9864 3.9864 k = 0.5000-0.4466-0.8725 ( 5286 PWs) bands (ev): -28.5057 -28.5057 -28.4394 -28.4394 -20.7910 -20.7910 -20.7568 -20.7568 -19.1087 -19.1087 -15.9453 -15.9453 -13.6420 -13.6420 -9.1082 -9.1082 -9.0338 -9.0338 -8.1562 -8.1562 -8.1250 -8.1250 -5.0115 -5.0115 -4.9162 -4.9162 -4.8213 -4.8213 -3.3935 -3.3935 -3.1008 -3.1008 -2.9975 -2.9975 -2.3621 -2.3621 -2.0380 -2.0380 -1.8649 -1.8649 -1.8096 -1.8096 -1.4756 -1.4756 0.1607 0.1607 0.1952 0.1952 0.4611 0.4611 3.0257 3.0257 3.7406 3.7406 3.9644 3.9644 k = 0.5000-0.4339-0.8931 ( 5288 PWs) bands (ev): -28.5054 -28.5054 -28.4396 -28.4396 -20.7887 -20.7887 -20.7589 -20.7589 -19.1090 -19.1090 -15.9448 -15.9448 -13.6423 -13.6423 -9.0978 -9.0978 -9.0465 -9.0465 -8.1567 -8.1567 -8.1233 -8.1233 -4.9977 -4.9977 -4.9343 -4.9343 -4.8171 -4.8171 -3.3879 -3.3879 -3.0610 -3.0610 -3.0352 -3.0352 -2.3718 -2.3718 -2.0377 -2.0377 -1.8716 -1.8716 -1.8076 -1.8076 -1.4743 -1.4743 0.1914 0.1914 0.2339 0.2339 0.3952 0.3952 3.0378 3.0378 3.7598 3.7598 3.9431 3.9431 k = 0.5000-0.4212-0.9137 ( 5290 PWs) bands (ev): -28.5052 -28.5052 -28.4398 -28.4398 -20.7863 -20.7863 -20.7611 -20.7611 -19.1094 -19.1094 -15.9444 -15.9444 -13.6426 -13.6426 -9.0883 -9.0883 -9.0573 -9.0573 -8.1591 -8.1591 -8.1199 -8.1199 -4.9867 -4.9867 -4.9506 -4.9506 -4.8111 -4.8111 -3.3836 -3.3836 -3.0764 -3.0764 -3.0196 -3.0196 -2.3805 -2.3805 -2.0369 -2.0369 -1.8779 -1.8779 -1.8048 -1.8048 -1.4733 -1.4733 0.2086 0.2086 0.2703 0.2703 0.3460 0.3460 3.0476 3.0476 3.7766 3.7766 3.9229 3.9229 k = 0.5000-0.4085-0.9343 ( 5278 PWs) bands (ev): -28.5050 -28.5050 -28.4400 -28.4400 -20.7839 -20.7839 -20.7633 -20.7633 -19.1098 -19.1098 -15.9440 -15.9440 -13.6428 -13.6428 -9.0833 -9.0833 -9.0622 -9.0622 -8.1624 -8.1624 -8.1155 -8.1155 -4.9833 -4.9833 -4.9607 -4.9607 -4.8027 -4.8027 -3.3802 -3.3802 -3.1154 -3.1154 -2.9827 -2.9827 -2.3883 -2.3883 -2.0356 -2.0356 -1.8836 -1.8836 -1.8013 -1.8013 -1.4728 -1.4728 0.1874 0.1874 0.3043 0.3043 0.3388 0.3388 3.0549 3.0549 3.7907 3.7907 3.9041 3.9041 k = 0.5000-0.3958-0.9550 ( 5278 PWs) bands (ev): -28.5048 -28.5048 -28.4403 -28.4403 -20.7814 -20.7814 -20.7656 -20.7656 -19.1102 -19.1102 -15.9436 -15.9436 -13.6431 -13.6431 -9.0879 -9.0879 -9.0562 -9.0562 -8.1662 -8.1662 -8.1105 -8.1105 -4.9933 -4.9933 -4.9595 -4.9595 -4.7915 -4.7915 -3.3776 -3.3776 -3.1547 -3.1547 -2.9481 -2.9481 -2.3951 -2.3951 -2.0337 -2.0337 -1.8884 -1.8884 -1.7974 -1.7974 -1.4728 -1.4728 0.1346 0.1346 0.3357 0.3357 0.3673 0.3673 3.0593 3.0593 3.8020 3.8020 3.8870 3.8870 k = 0.5000-0.3831-0.9756 ( 5284 PWs) bands (ev): -28.5046 -28.5046 -28.4405 -28.4405 -20.7788 -20.7788 -20.7680 -20.7680 -19.1108 -19.1108 -15.9432 -15.9432 -13.6434 -13.6434 -9.0958 -9.0958 -9.0455 -9.0455 -8.1701 -8.1701 -8.1053 -8.1053 -5.0079 -5.0079 -4.9559 -4.9559 -4.7776 -4.7776 -3.3758 -3.3758 -3.1937 -3.1937 -2.9164 -2.9164 -2.4010 -2.4010 -2.0314 -2.0314 -1.8925 -1.8925 -1.7931 -1.7931 -1.4732 -1.4732 0.0728 0.0728 0.3649 0.3649 0.4084 0.4084 3.0605 3.0605 3.8104 3.8104 3.8719 3.8719 k = 0.8104-0.2851-0.7813 ( 5284 PWs) bands (ev): -28.5046 -28.5046 -28.4405 -28.4405 -20.7788 -20.7788 -20.7680 -20.7680 -19.1108 -19.1108 -15.9432 -15.9432 -13.6434 -13.6434 -9.0958 -9.0958 -9.0455 -9.0455 -8.1701 -8.1701 -8.1053 -8.1053 -5.0079 -5.0079 -4.9559 -4.9559 -4.7776 -4.7776 -3.3758 -3.3758 -3.1937 -3.1937 -2.9164 -2.9164 -2.4010 -2.4010 -2.0314 -2.0314 -1.8925 -1.8925 -1.7931 -1.7931 -1.4732 -1.4732 0.0728 0.0728 0.3649 0.3649 0.4084 0.4084 3.0605 3.0605 3.8104 3.8104 3.8719 3.8719 k = 0.8032-0.2748-0.7609 ( 5286 PWs) bands (ev): -28.5044 -28.5044 -28.4408 -28.4408 -20.7762 -20.7762 -20.7703 -20.7703 -19.1113 -19.1113 -15.9429 -15.9429 -13.6437 -13.6437 -9.1035 -9.1035 -9.0337 -9.0337 -8.1739 -8.1739 -8.1000 -8.1000 -5.0230 -5.0230 -4.9541 -4.9541 -4.7611 -4.7611 -3.3746 -3.3746 -3.2319 -3.2319 -2.8883 -2.8883 -2.4060 -2.4060 -2.0286 -2.0286 -1.8957 -1.8957 -1.7885 -1.7885 -1.4742 -1.4742 0.0104 0.0104 0.3913 0.3913 0.4546 0.4546 3.0584 3.0584 3.8157 3.8157 3.8590 3.8590 k = 0.7960-0.2645-0.7404 ( 5278 PWs) bands (ev): -28.5042 -28.5042 -28.4411 -28.4411 -20.7736 -20.7736 -20.7727 -20.7727 -19.1119 -19.1119 -15.9425 -15.9425 -13.6439 -13.6439 -9.1104 -9.1104 -9.0213 -9.0213 -8.1774 -8.1774 -8.0948 -8.0948 -5.0379 -5.0379 -4.9544 -4.9544 -4.7423 -4.7423 -3.3741 -3.3741 -3.2695 -3.2695 -2.8636 -2.8636 -2.4100 -2.4100 -2.0254 -2.0254 -1.8981 -1.8981 -1.7837 -1.7837 -1.4757 -1.4757 -0.0510 -0.0510 0.4151 0.4151 0.5043 0.5043 3.0530 3.0530 3.8179 3.8179 3.8482 3.8482 k = 0.7888-0.2542-0.7200 ( 5278 PWs) bands (ev): -28.5040 -28.5040 -28.4413 -28.4413 -20.7751 -20.7751 -20.7710 -20.7710 -19.1126 -19.1126 -15.9421 -15.9421 -13.6442 -13.6442 -9.1162 -9.1162 -9.0086 -9.0086 -8.1807 -8.1807 -8.0895 -8.0895 -5.0526 -5.0526 -4.9567 -4.9567 -4.7216 -4.7216 -3.3744 -3.3744 -3.3063 -3.3063 -2.8425 -2.8425 -2.4131 -2.4131 -2.0218 -2.0218 -1.8996 -1.8996 -1.7788 -1.7788 -1.4777 -1.4777 -0.1105 -0.1105 0.4362 0.4362 0.5568 0.5568 3.0444 3.0444 3.8171 3.8171 3.8395 3.8395 k = 0.7816-0.2439-0.6996 ( 5276 PWs) bands (ev): -28.5038 -28.5038 -28.4416 -28.4416 -20.7776 -20.7776 -20.7683 -20.7683 -19.1133 -19.1133 -15.9418 -15.9418 -13.6445 -13.6445 -9.1209 -9.1209 -8.9958 -8.9958 -8.1836 -8.1836 -8.0844 -8.0844 -5.0669 -5.0669 -4.9608 -4.9608 -4.6994 -4.6994 -3.3753 -3.3753 -3.3422 -3.3422 -2.8251 -2.8251 -2.4153 -2.4153 -2.0178 -2.0178 -1.9004 -1.9004 -1.7737 -1.7737 -1.4803 -1.4803 -0.1675 -0.1675 0.4544 0.4544 0.6118 0.6118 3.0329 3.0329 3.8134 3.8134 3.8327 3.8327 k = 0.7743-0.2336-0.6792 ( 5284 PWs) bands (ev): -28.5036 -28.5036 -28.4420 -28.4420 -20.7800 -20.7800 -20.7656 -20.7656 -19.1140 -19.1140 -15.9415 -15.9415 -13.6448 -13.6448 -9.1244 -9.1244 -8.9828 -8.9828 -8.1861 -8.1861 -8.0793 -8.0793 -5.0809 -5.0809 -4.9665 -4.9665 -4.6760 -4.6760 -3.3786 -3.3786 -3.3757 -3.3757 -2.8114 -2.8114 -2.4165 -2.4165 -2.0134 -2.0134 -1.9005 -1.9005 -1.7685 -1.7685 -1.4835 -1.4835 -0.2217 -0.2217 0.4697 0.4697 0.6691 0.6691 3.0187 3.0187 3.8071 3.8071 3.8274 3.8274 k = 0.7671-0.2233-0.6587 ( 5286 PWs) bands (ev): -28.5034 -28.5034 -28.4423 -28.4423 -20.7825 -20.7825 -20.7628 -20.7628 -19.1149 -19.1149 -15.9412 -15.9412 -13.6451 -13.6451 -9.1266 -9.1266 -8.9697 -8.9697 -8.1881 -8.1881 -8.0742 -8.0742 -5.0946 -5.0946 -4.9735 -4.9735 -4.6517 -4.6517 -3.4112 -3.4112 -3.3796 -3.3796 -2.8013 -2.8013 -2.4167 -2.4167 -2.0087 -2.0087 -1.9000 -1.9000 -1.7632 -1.7632 -1.4872 -1.4872 -0.2728 -0.2728 0.4820 0.4820 0.7285 0.7285 3.0023 3.0023 3.7982 3.7982 3.8234 3.8234 k = 0.7599-0.2130-0.6383 ( 5280 PWs) bands (ev): -28.5033 -28.5033 -28.4426 -28.4426 -20.7850 -20.7850 -20.7601 -20.7601 -19.1157 -19.1157 -15.9409 -15.9409 -13.6454 -13.6454 -9.1275 -9.1275 -8.9566 -8.9566 -8.1895 -8.1895 -8.0693 -8.0693 -5.1081 -5.1081 -4.9817 -4.9817 -4.6268 -4.6268 -3.4439 -3.4439 -3.3833 -3.3833 -2.7947 -2.7947 -2.4159 -2.4159 -2.0037 -2.0037 -1.8991 -1.8991 -1.7579 -1.7579 -1.4914 -1.4914 -0.3207 -0.3207 0.4911 0.4911 0.7901 0.7901 2.9843 2.9843 3.7870 3.7870 3.8205 3.8205 k = 0.7527-0.2027-0.6179 ( 5282 PWs) bands (ev): -28.5031 -28.5031 -28.4429 -28.4429 -20.7875 -20.7875 -20.7573 -20.7573 -19.1166 -19.1166 -15.9406 -15.9406 -13.6457 -13.6457 -9.1272 -9.1272 -8.9436 -8.9436 -8.1904 -8.1904 -8.0644 -8.0644 -5.1212 -5.1212 -4.9909 -4.9909 -4.6014 -4.6014 -3.4755 -3.4755 -3.3880 -3.3880 -2.7915 -2.7915 -2.4139 -2.4139 -1.9984 -1.9984 -1.8980 -1.8980 -1.7525 -1.7525 -1.4960 -1.4960 -0.3652 -0.3652 0.4969 0.4969 0.8536 0.8536 2.9651 2.9651 3.7738 3.7738 3.8182 3.8182 k = 0.7455-0.1924-0.5974 ( 5280 PWs) bands (ev): -28.5029 -28.5029 -28.4433 -28.4433 -20.7899 -20.7899 -20.7545 -20.7545 -19.1176 -19.1176 -15.9404 -15.9404 -13.6460 -13.6460 -9.1255 -9.1255 -8.9306 -8.9306 -8.1906 -8.1906 -8.0597 -8.0597 -5.1342 -5.1342 -5.0012 -5.0012 -4.5758 -4.5758 -3.5057 -3.5057 -3.3940 -3.3940 -2.7914 -2.7914 -2.4109 -2.4109 -1.9929 -1.9929 -1.8968 -1.8968 -1.7470 -1.7470 -1.5011 -1.5011 -0.4061 -0.4061 0.4994 0.4994 0.9189 0.9189 2.9454 2.9454 3.7589 3.7589 3.8162 3.8162 k = 0.7382-0.1821-0.5770 ( 5276 PWs) bands (ev): -28.5028 -28.5028 -28.4436 -28.4436 -20.7924 -20.7924 -20.7517 -20.7517 -19.1186 -19.1186 -15.9402 -15.9402 -13.6462 -13.6462 -9.1225 -9.1225 -8.9178 -8.9178 -8.1902 -8.1902 -8.0550 -8.0550 -5.1469 -5.1469 -5.0123 -5.0123 -4.5501 -4.5501 -3.5347 -3.5347 -3.4013 -3.4013 -2.7942 -2.7942 -2.4067 -2.4067 -1.9873 -1.9873 -1.8956 -1.8956 -1.7414 -1.7414 -1.5065 -1.5065 -0.4435 -0.4435 0.4985 0.4985 0.9861 0.9861 2.9256 2.9256 3.7423 3.7423 3.8143 3.8143 k = 0.7310-0.1718-0.5566 ( 5276 PWs) bands (ev): -28.5027 -28.5027 -28.4440 -28.4440 -20.7949 -20.7949 -20.7489 -20.7489 -19.1197 -19.1197 -15.9400 -15.9400 -13.6465 -13.6465 -9.1183 -9.1183 -8.9053 -8.9053 -8.1892 -8.1892 -8.0504 -8.0504 -5.1593 -5.1593 -5.0242 -5.0242 -4.5244 -4.5244 -3.5623 -3.5623 -3.4101 -3.4101 -2.7995 -2.7995 -2.4012 -2.4012 -1.9815 -1.9815 -1.8945 -1.8945 -1.7357 -1.7357 -1.5122 -1.5122 -0.4774 -0.4774 0.4939 0.4939 1.0549 1.0549 2.9063 2.9063 3.7244 3.7244 3.8120 3.8120 k = 0.7238-0.1615-0.5362 ( 5286 PWs) bands (ev): -28.5025 -28.5025 -28.4443 -28.4443 -20.7973 -20.7973 -20.7462 -20.7462 -19.1208 -19.1208 -15.9398 -15.9398 -13.6468 -13.6468 -9.1128 -9.1128 -8.8930 -8.8930 -8.1874 -8.1874 -8.0459 -8.0459 -5.1716 -5.1716 -5.0368 -5.0368 -4.4989 -4.4989 -3.5885 -3.5885 -3.4206 -3.4206 -2.8069 -2.8069 -2.3945 -2.3945 -1.9755 -1.9755 -1.8936 -1.8936 -1.7299 -1.7299 -1.5181 -1.5181 -0.5079 -0.5079 0.4858 0.4858 1.1253 1.1253 2.8879 2.8879 3.7052 3.7052 3.8093 3.8093 k = 0.7166-0.1512-0.5157 ( 5288 PWs) bands (ev): -28.5024 -28.5024 -28.4447 -28.4447 -20.7997 -20.7997 -20.7434 -20.7434 -19.1219 -19.1219 -15.9396 -15.9396 -13.6471 -13.6471 -9.1060 -9.1060 -8.8810 -8.8810 -8.1849 -8.1849 -8.0414 -8.0414 -5.1838 -5.1838 -5.0502 -5.0502 -4.4737 -4.4737 -3.6134 -3.6134 -3.4330 -3.4330 -2.8160 -2.8160 -2.3864 -2.3864 -1.9696 -1.9696 -1.8930 -1.8930 -1.7241 -1.7241 -1.5242 -1.5242 -0.5351 -0.5351 0.4739 0.4739 1.1971 1.1971 2.8708 2.8708 3.6851 3.6851 3.8059 3.8059 k = 0.7094-0.1409-0.4953 ( 5298 PWs) bands (ev): -28.5023 -28.5023 -28.4451 -28.4451 -20.8021 -20.8021 -20.7407 -20.7407 -19.1231 -19.1231 -15.9395 -15.9395 -13.6474 -13.6474 -9.0980 -9.0980 -8.8694 -8.8694 -8.1816 -8.1816 -8.0371 -8.0371 -5.1957 -5.1957 -5.0641 -5.0641 -4.4490 -4.4490 -3.6368 -3.6368 -3.4472 -3.4472 -2.8265 -2.8265 -2.3768 -2.3768 -1.9636 -1.9636 -1.8927 -1.8927 -1.7181 -1.7181 -1.5302 -1.5302 -0.5592 -0.5592 0.4583 0.4583 1.2702 1.2702 2.8555 2.8555 3.6640 3.6640 3.8017 3.8017 k = 0.7022-0.1306-0.4749 ( 5298 PWs) bands (ev): -28.5022 -28.5022 -28.4454 -28.4454 -20.8045 -20.8045 -20.7380 -20.7380 -19.1243 -19.1243 -15.9394 -15.9394 -13.6476 -13.6476 -9.0889 -9.0889 -8.8582 -8.8582 -8.1776 -8.1776 -8.0329 -8.0329 -5.2075 -5.2075 -5.0785 -5.0785 -4.4248 -4.4248 -3.6589 -3.6589 -3.4637 -3.4637 -2.8379 -2.8379 -2.3659 -2.3659 -1.9577 -1.9577 -1.8926 -1.8926 -1.7119 -1.7119 -1.5363 -1.5363 -0.5803 -0.5803 0.4391 0.4391 1.3446 1.3446 2.8422 2.8422 3.6422 3.6422 3.7965 3.7965 k = 0.6949-0.1203-0.4544 ( 5308 PWs) bands (ev): -28.5022 -28.5022 -28.4458 -28.4458 -20.8068 -20.8068 -20.7354 -20.7354 -19.1255 -19.1255 -15.9393 -15.9393 -13.6479 -13.6479 -9.0786 -9.0786 -8.8474 -8.8474 -8.1729 -8.1729 -8.0287 -8.0287 -5.2191 -5.2191 -5.0934 -5.0934 -4.4013 -4.4013 -3.6796 -3.6796 -3.4823 -3.4823 -2.8499 -2.8499 -2.3534 -2.3534 -1.9520 -1.9520 -1.8928 -1.8928 -1.7056 -1.7056 -1.5423 -1.5423 -0.5986 -0.5986 0.4161 0.4161 1.4199 1.4199 2.8312 2.8312 3.6197 3.6197 3.7903 3.7903 k = 0.6877-0.1100-0.4340 ( 5306 PWs) bands (ev): -28.5021 -28.5021 -28.4462 -28.4462 -20.8091 -20.8091 -20.7328 -20.7328 -19.1268 -19.1268 -15.9392 -15.9392 -13.6482 -13.6482 -9.0672 -9.0672 -8.8371 -8.8371 -8.1674 -8.1674 -8.0247 -8.0247 -5.2306 -5.2306 -5.1087 -5.1087 -4.3786 -4.3786 -3.6989 -3.6989 -3.5031 -3.5031 -2.8621 -2.8621 -2.3393 -2.3393 -1.9464 -1.9464 -1.8932 -1.8932 -1.6991 -1.6991 -1.5483 -1.5483 -0.6145 -0.6145 0.3895 0.3895 1.4962 1.4962 2.8227 2.8227 3.5967 3.5967 3.7831 3.7831 k = 0.6805-0.0997-0.4136 ( 5302 PWs) bands (ev): -28.5020 -28.5020 -28.4465 -28.4465 -20.8113 -20.8113 -20.7302 -20.7302 -19.1280 -19.1280 -15.9391 -15.9391 -13.6484 -13.6484 -9.0549 -9.0549 -8.8273 -8.8273 -8.1612 -8.1612 -8.0207 -8.0207 -5.2419 -5.2419 -5.1242 -5.1242 -4.3567 -4.3567 -3.7168 -3.7168 -3.5263 -3.5263 -2.8741 -2.8741 -2.3237 -2.3237 -1.9410 -1.9410 -1.8935 -1.8935 -1.6924 -1.6924 -1.5541 -1.5541 -0.6281 -0.6281 0.3594 0.3594 1.5733 1.5733 2.8168 2.8168 3.5733 3.5733 3.7748 3.7748 k = 0.6733-0.0894-0.3932 ( 5300 PWs) bands (ev): -28.5019 -28.5019 -28.4469 -28.4469 -20.8135 -20.8135 -20.7277 -20.7277 -19.1293 -19.1293 -15.9391 -15.9391 -13.6487 -13.6487 -9.0416 -9.0416 -8.8181 -8.8181 -8.1544 -8.1544 -8.0169 -8.0169 -5.2531 -5.2531 -5.1400 -5.1400 -4.3358 -4.3358 -3.7334 -3.7334 -3.5517 -3.5517 -2.8857 -2.8857 -2.3064 -2.3064 -1.9360 -1.9360 -1.8939 -1.8939 -1.6856 -1.6856 -1.5597 -1.5597 -0.6397 -0.6397 0.3259 0.3259 1.6510 1.6510 2.8136 2.8136 3.5497 3.5497 3.7655 3.7655 k = 0.6661-0.0791-0.3727 ( 5294 PWs) bands (ev): -28.5019 -28.5019 -28.4473 -28.4473 -20.8156 -20.8156 -20.7252 -20.7252 -19.1306 -19.1306 -15.9390 -15.9390 -13.6489 -13.6489 -9.0275 -9.0275 -8.8094 -8.8094 -8.1469 -8.1469 -8.0132 -8.0132 -5.2641 -5.2641 -5.1560 -5.1560 -4.3160 -4.3160 -3.7486 -3.7486 -3.5792 -3.5792 -2.8968 -2.8968 -2.2876 -2.2876 -1.9315 -1.9315 -1.8940 -1.8940 -1.6785 -1.6785 -1.5653 -1.5653 -0.6494 -0.6494 0.2893 0.2893 1.7292 1.7292 2.8131 2.8131 3.5259 3.5259 3.7551 3.7551 k = 0.6588-0.0688-0.3523 ( 5298 PWs) bands (ev): -28.5018 -28.5018 -28.4476 -28.4476 -20.8177 -20.8177 -20.7228 -20.7228 -19.1319 -19.1319 -15.9391 -15.9391 -13.6491 -13.6491 -9.0126 -9.0126 -8.8012 -8.8012 -8.1388 -8.1388 -8.0096 -8.0096 -5.2749 -5.2749 -5.1720 -5.1720 -4.2972 -4.2972 -3.7626 -3.7626 -3.6086 -3.6086 -2.9070 -2.9070 -2.2670 -2.2670 -1.9274 -1.9274 -1.8939 -1.8939 -1.6713 -1.6713 -1.5706 -1.5706 -0.6576 -0.6576 0.2496 0.2496 1.8077 1.8077 2.8153 2.8153 3.5021 3.5021 3.7438 3.7438 k = 0.6516-0.0585-0.3319 ( 5296 PWs) bands (ev): -28.5018 -28.5018 -28.4480 -28.4480 -20.8197 -20.8197 -20.7204 -20.7204 -19.1332 -19.1332 -15.9390 -15.9390 -13.6493 -13.6493 -8.9970 -8.9970 -8.7937 -8.7937 -8.1302 -8.1302 -8.0061 -8.0061 -5.2856 -5.2856 -5.1880 -5.1880 -4.2797 -4.2797 -3.7752 -3.7752 -3.6397 -3.6397 -2.9164 -2.9164 -2.2449 -2.2449 -1.9238 -1.9238 -1.8933 -1.8933 -1.6640 -1.6640 -1.5758 -1.5758 -0.6644 -0.6644 0.2072 0.2072 1.8863 1.8863 2.8202 2.8202 3.4784 3.4784 3.7314 3.7314 k = 0.6444-0.0482-0.3114 ( 5294 PWs) bands (ev): -28.5018 -28.5018 -28.4483 -28.4483 -20.8216 -20.8216 -20.7182 -20.7182 -19.1345 -19.1345 -15.9391 -15.9391 -13.6496 -13.6496 -8.9809 -8.9809 -8.7866 -8.7866 -8.1212 -8.1212 -8.0027 -8.0027 -5.2961 -5.2961 -5.2040 -5.2040 -4.2634 -4.2634 -3.7866 -3.7866 -3.6722 -3.6722 -2.9248 -2.9248 -2.2211 -2.2211 -1.9209 -1.9209 -1.8922 -1.8922 -1.6567 -1.6567 -1.5808 -1.5808 -0.6700 -0.6700 0.1622 0.1622 1.9649 1.9649 2.8276 2.8276 3.4549 3.4549 3.7182 3.7182 k = 0.6372-0.0379-0.2910 ( 5286 PWs) bands (ev): -28.5017 -28.5017 -28.4487 -28.4487 -20.8235 -20.8235 -20.7160 -20.7160 -19.1357 -19.1357 -15.9391 -15.9391 -13.6497 -13.6497 -8.9643 -8.9643 -8.7801 -8.7801 -8.1118 -8.1118 -7.9995 -7.9995 -5.3064 -5.3064 -5.2198 -5.2198 -4.2484 -4.2484 -3.7968 -3.7968 -3.7058 -3.7058 -2.9324 -2.9324 -2.1958 -2.1958 -1.9186 -1.9186 -1.8905 -1.8905 -1.6494 -1.6494 -1.5855 -1.5855 -0.6745 -0.6745 0.1150 0.1150 2.0434 2.0434 2.8375 2.8375 3.4318 3.4318 3.7042 3.7042 k = 0.6300-0.0276-0.2706 ( 5290 PWs) bands (ev): -28.5017 -28.5017 -28.4490 -28.4490 -20.8253 -20.8253 -20.7138 -20.7138 -19.1370 -19.1370 -15.9391 -15.9391 -13.6499 -13.6499 -8.9473 -8.9473 -8.7741 -8.7741 -8.1021 -8.1021 -7.9964 -7.9964 -5.3165 -5.3165 -5.2353 -5.2353 -4.2347 -4.2347 -3.8059 -3.8059 -3.7402 -3.7402 -2.9390 -2.9390 -2.1691 -2.1691 -1.9168 -1.9168 -1.8884 -1.8884 -1.6423 -1.6423 -1.5898 -1.5898 -0.6781 -0.6781 0.0659 0.0659 2.1215 2.1215 2.8496 2.8496 3.4091 3.4091 3.6893 3.6893 k = 0.6227-0.0173-0.2501 ( 5290 PWs) bands (ev): -28.5017 -28.5017 -28.4493 -28.4493 -20.8270 -20.8270 -20.7118 -20.7118 -19.1382 -19.1382 -15.9391 -15.9391 -13.6501 -13.6501 -8.9302 -8.9302 -8.7686 -8.7686 -8.0923 -8.0923 -7.9934 -7.9934 -5.3264 -5.3264 -5.2505 -5.2505 -4.2223 -4.2223 -3.8138 -3.8138 -3.7750 -3.7750 -2.9448 -2.9448 -2.1409 -2.1409 -1.9153 -1.9153 -1.8859 -1.8859 -1.6357 -1.6357 -1.5934 -1.5934 -0.6810 -0.6810 0.0151 0.0151 2.1991 2.1991 2.8638 2.8638 3.3870 3.3870 3.6738 3.6738 k = 0.6155-0.0070-0.2297 ( 5294 PWs) bands (ev): -28.5017 -28.5017 -28.4496 -28.4496 -20.8286 -20.8286 -20.7099 -20.7099 -19.1393 -19.1393 -15.9392 -15.9392 -13.6503 -13.6503 -8.9129 -8.9129 -8.7636 -8.7636 -8.0824 -8.0824 -7.9905 -7.9905 -5.3360 -5.3360 -5.2654 -5.2654 -4.2111 -4.2111 -3.8212 -3.8212 -3.8094 -3.8094 -2.9499 -2.9499 -2.1117 -2.1117 -1.9140 -1.9140 -1.8831 -1.8831 -1.6302 -1.6302 -1.5958 -1.5958 -0.6833 -0.6833 -0.0371 -0.0371 2.2760 2.2760 2.8799 2.8799 3.3656 3.3656 3.6576 3.6576 k = 0.6083 0.0033-0.2093 ( 5282 PWs) bands (ev): -28.5017 -28.5017 -28.4499 -28.4499 -20.8302 -20.8302 -20.7080 -20.7080 -19.1405 -19.1405 -15.9392 -15.9392 -13.6504 -13.6504 -8.8957 -8.8957 -8.7590 -8.7590 -8.0724 -8.0724 -7.9878 -7.9878 -5.3454 -5.3454 -5.2798 -5.2798 -4.2012 -4.2012 -3.8451 -3.8451 -3.8258 -3.8258 -2.9542 -2.9542 -2.0814 -2.0814 -1.9127 -1.9127 -1.8800 -1.8800 -1.6267 -1.6267 -1.5962 -1.5962 -0.6850 -0.6850 -0.0902 -0.0902 2.3519 2.3519 2.8976 2.8976 3.3449 3.3449 3.6409 3.6409 k = 0.6011 0.0136-0.1889 ( 5284 PWs) bands (ev): -28.5017 -28.5017 -28.4502 -28.4502 -20.8316 -20.8316 -20.7063 -20.7063 -19.1416 -19.1416 -15.9393 -15.9393 -13.6506 -13.6506 -8.8787 -8.8787 -8.7548 -8.7548 -8.0627 -8.0627 -7.9852 -7.9852 -5.3544 -5.3544 -5.2936 -5.2936 -4.1926 -4.1926 -3.8789 -3.8789 -3.8310 -3.8310 -2.9579 -2.9579 -2.0506 -2.0506 -1.9113 -1.9113 -1.8765 -1.8765 -1.6258 -1.6258 -1.5939 -1.5939 -0.6863 -0.6863 -0.1440 -0.1440 2.4268 2.4268 2.9169 2.9169 3.3251 3.3251 3.6237 3.6237 k = 0.5939 0.0239-0.1684 ( 5282 PWs) bands (ev): -28.5017 -28.5017 -28.4505 -28.4505 -20.8330 -20.8330 -20.7046 -20.7046 -19.1426 -19.1426 -15.9393 -15.9393 -13.6507 -13.6507 -8.8620 -8.8620 -8.7510 -8.7510 -8.0532 -8.0532 -7.9826 -7.9826 -5.3631 -5.3631 -5.3068 -5.3068 -4.1850 -4.1850 -3.9119 -3.9119 -3.8351 -3.8351 -2.9610 -2.9610 -2.0197 -2.0197 -1.9096 -1.9096 -1.8725 -1.8725 -1.6271 -1.6271 -1.5893 -1.5893 -0.6872 -0.6872 -0.1981 -0.1981 2.5005 2.5005 2.9374 2.9374 3.3062 3.3062 3.6061 3.6061 k = 0.5866 0.0342-0.1480 ( 5284 PWs) bands (ev): -28.5017 -28.5017 -28.4508 -28.4508 -20.8343 -20.8343 -20.7031 -20.7031 -19.1436 -19.1436 -15.9394 -15.9394 -13.6509 -13.6509 -8.8458 -8.8458 -8.7475 -8.7475 -8.0441 -8.0441 -7.9802 -7.9802 -5.3714 -5.3714 -5.3194 -5.3194 -4.1786 -4.1786 -3.9437 -3.9437 -3.8384 -3.8384 -2.9636 -2.9636 -1.9899 -1.9899 -1.9072 -1.9072 -1.8675 -1.8675 -1.6297 -1.6297 -1.5836 -1.5836 -0.6879 -0.6879 -0.2521 -0.2521 2.5726 2.5726 2.9590 2.9590 3.2884 3.2884 3.5881 3.5881 k = 0.5794 0.0445-0.1276 ( 5288 PWs) bands (ev): -28.5017 -28.5017 -28.4510 -28.4510 -20.8355 -20.8355 -20.7017 -20.7017 -19.1446 -19.1446 -15.9395 -15.9395 -13.6510 -13.6510 -8.8303 -8.8303 -8.7444 -8.7444 -8.0354 -8.0354 -7.9778 -7.9778 -5.3793 -5.3793 -5.3312 -5.3312 -4.1731 -4.1731 -3.9740 -3.9740 -3.8411 -3.8411 -2.9658 -2.9658 -1.9628 -1.9628 -1.9038 -1.9038 -1.8603 -1.8603 -1.6329 -1.6329 -1.5773 -1.5773 -0.6883 -0.6883 -0.3057 -0.3057 2.6431 2.6431 2.9813 2.9813 3.2718 3.2718 3.5698 3.5698 k = 0.5722 0.0548-0.1071 ( 5290 PWs) bands (ev): -28.5017 -28.5017 -28.4512 -28.4512 -20.8366 -20.8366 -20.7004 -20.7004 -19.1454 -19.1454 -15.9395 -15.9395 -13.6511 -13.6511 -8.8156 -8.8156 -8.7415 -8.7415 -8.0273 -8.0273 -7.9755 -7.9755 -5.3867 -5.3867 -5.3423 -5.3423 -4.1686 -4.1686 -4.0025 -4.0025 -3.8432 -3.8432 -2.9676 -2.9676 -1.9417 -1.9417 -1.8986 -1.8986 -1.8489 -1.8489 -1.6362 -1.6362 -1.5710 -1.5710 -0.6886 -0.6886 -0.3583 -0.3583 2.7118 2.7118 3.0041 3.0041 3.2563 3.2563 3.5514 3.5514 k = 0.5650 0.0651-0.0867 ( 5290 PWs) bands (ev): -28.5017 -28.5017 -28.4514 -28.4514 -20.8376 -20.8376 -20.6992 -20.6992 -19.1462 -19.1462 -15.9396 -15.9396 -13.6512 -13.6512 -8.8019 -8.8019 -8.7388 -8.7388 -8.0200 -8.0200 -7.9731 -7.9731 -5.3936 -5.3936 -5.3524 -5.3524 -4.1649 -4.1649 -4.0289 -4.0289 -3.8447 -3.8447 -2.9691 -2.9691 -1.9286 -1.9286 -1.8922 -1.8922 -1.8311 -1.8311 -1.6394 -1.6394 -1.5649 -1.5649 -0.6887 -0.6887 -0.4095 -0.4095 2.7783 2.7783 3.0272 3.0272 3.2421 3.2421 3.5329 3.5329 k = 0.5578 0.0754-0.0663 ( 5278 PWs) bands (ev): -28.5017 -28.5017 -28.4516 -28.4516 -20.8384 -20.8384 -20.6981 -20.6981 -19.1470 -19.1470 -15.9396 -15.9396 -13.6513 -13.6513 -8.7894 -8.7894 -8.7363 -8.7363 -8.0134 -8.0134 -7.9708 -7.9708 -5.4000 -5.4000 -5.3617 -5.3617 -4.1620 -4.1620 -4.0530 -4.0530 -3.8459 -3.8459 -2.9703 -2.9703 -1.9217 -1.9217 -1.8864 -1.8864 -1.8074 -1.8074 -1.6424 -1.6424 -1.5590 -1.5590 -0.6887 -0.6887 -0.4586 -0.4586 2.8425 2.8425 3.0503 3.0503 3.2293 3.2293 3.5145 3.5145 k = 0.5505 0.0857-0.0459 ( 5268 PWs) bands (ev): -28.5017 -28.5017 -28.4518 -28.4518 -20.8392 -20.8392 -20.6971 -20.6971 -19.1476 -19.1476 -15.9397 -15.9397 -13.6513 -13.6513 -8.7782 -8.7782 -8.7338 -8.7338 -8.0077 -8.0077 -7.9684 -7.9684 -5.4057 -5.4057 -5.3700 -5.3700 -4.1598 -4.1598 -4.0746 -4.0746 -3.8468 -3.8468 -2.9713 -2.9713 -1.9179 -1.9179 -1.8821 -1.8821 -1.7806 -1.7806 -1.6450 -1.6450 -1.5535 -1.5535 -0.6887 -0.6887 -0.5051 -0.5051 2.9042 2.9042 3.0730 3.0730 3.2178 3.2178 3.4964 3.4964 k = 0.5433 0.0960-0.0254 ( 5266 PWs) bands (ev): -28.5017 -28.5017 -28.4519 -28.4519 -20.8399 -20.8399 -20.6963 -20.6963 -19.1482 -19.1482 -15.9397 -15.9397 -13.6514 -13.6514 -8.7686 -8.7686 -8.7313 -8.7313 -8.0030 -8.0030 -7.9661 -7.9661 -5.4108 -5.4108 -5.3773 -5.3773 -4.1583 -4.1583 -4.0933 -4.0933 -3.8473 -3.8473 -2.9721 -2.9721 -1.9155 -1.9155 -1.8790 -1.8790 -1.7534 -1.7534 -1.6470 -1.6470 -1.5485 -1.5485 -0.6887 -0.6887 -0.5482 -0.5482 2.9628 2.9628 3.0950 3.0950 3.2078 3.2078 3.4787 3.4787 k = 0.5361 0.1063-0.0050 ( 5266 PWs) bands (ev): -28.5017 -28.5017 -28.4520 -28.4520 -20.8405 -20.8405 -20.6956 -20.6956 -19.1487 -19.1487 -15.9398 -15.9398 -13.6515 -13.6515 -8.7608 -8.7608 -8.7288 -8.7288 -7.9991 -7.9991 -7.9639 -7.9639 -5.4152 -5.4152 -5.3835 -5.3835 -4.1576 -4.1576 -4.1090 -4.1090 -3.8477 -3.8477 -2.9727 -2.9727 -1.9139 -1.9139 -1.8767 -1.8767 -1.7281 -1.7281 -1.6483 -1.6483 -1.5441 -1.5441 -0.6888 -0.6888 -0.5871 -0.5871 3.0181 3.0181 3.1157 3.1157 3.1994 3.1994 3.4618 3.4618 k = 0.5289 0.1166 0.0154 ( 5258 PWs) bands (ev): -28.5017 -28.5017 -28.4521 -28.4521 -20.8410 -20.8410 -20.6950 -20.6950 -19.1491 -19.1491 -15.9398 -15.9398 -13.6515 -13.6515 -8.7547 -8.7547 -8.7262 -8.7262 -7.9961 -7.9961 -7.9618 -7.9618 -5.4188 -5.4188 -5.3886 -5.3886 -4.1578 -4.1578 -4.1213 -4.1213 -3.8480 -3.8480 -2.9731 -2.9731 -1.9128 -1.9128 -1.8750 -1.8750 -1.7063 -1.7063 -1.6482 -1.6482 -1.5402 -1.5402 -0.6891 -0.6891 -0.6206 -0.6206 3.0692 3.0692 3.1347 3.1347 3.1926 3.1926 3.4462 3.4462 k = 0.5217 0.1269 0.0359 ( 5260 PWs) bands (ev): -28.5017 -28.5017 -28.4522 -28.4522 -20.8414 -20.8414 -20.6945 -20.6945 -19.1494 -19.1494 -15.9398 -15.9398 -13.6515 -13.6515 -8.7504 -8.7504 -8.7237 -8.7237 -7.9939 -7.9939 -7.9601 -7.9601 -5.4217 -5.4217 -5.3927 -5.3927 -4.1591 -4.1591 -4.1300 -4.1300 -3.8482 -3.8482 -2.9735 -2.9735 -1.9119 -1.9119 -1.8738 -1.8738 -1.6900 -1.6900 -1.6462 -1.6462 -1.5370 -1.5370 -0.6899 -0.6899 -0.6476 -0.6476 3.1148 3.1148 3.1511 3.1511 3.1876 3.1876 3.4325 3.4325 k = 0.5144 0.1372 0.0563 ( 5256 PWs) bands (ev): -28.5017 -28.5017 -28.4523 -28.4523 -20.8416 -20.8416 -20.6942 -20.6942 -19.1496 -19.1496 -15.9398 -15.9398 -13.6516 -13.6516 -8.7476 -8.7476 -8.7216 -8.7216 -7.9924 -7.9924 -7.9587 -7.9587 -5.4238 -5.4238 -5.3956 -5.3956 -4.1610 -4.1610 -4.1352 -4.1352 -3.8482 -3.8482 -2.9737 -2.9737 -1.9114 -1.9114 -1.8730 -1.8730 -1.6801 -1.6801 -1.6421 -1.6421 -1.5346 -1.5346 -0.6917 -0.6917 -0.6665 -0.6665 3.1513 3.1513 3.1645 3.1645 3.1853 3.1853 3.4216 3.4216 k = 0.5072 0.1475 0.0767 ( 5262 PWs) bands (ev): -28.5017 -28.5017 -28.4523 -28.4523 -20.8418 -20.8418 -20.6940 -20.6940 -19.1498 -19.1498 -15.9398 -15.9398 -13.6516 -13.6516 -8.7461 -8.7461 -8.7202 -8.7202 -7.9916 -7.9916 -7.9579 -7.9579 -5.4250 -5.4250 -5.3973 -5.3973 -4.1628 -4.1628 -4.1377 -4.1377 -3.8483 -3.8483 -2.9738 -2.9738 -1.9111 -1.9111 -1.8725 -1.8725 -1.6756 -1.6756 -1.6380 -1.6380 -1.5330 -1.5330 -0.6950 -0.6950 -0.6760 -0.6760 3.1679 3.1679 3.1762 3.1762 3.1905 3.1905 3.4141 3.4141 k = 0.5000 0.1578 0.0971 ( 5262 PWs) bands (ev): -28.5017 -28.5017 -28.4523 -28.4523 -20.8419 -20.8419 -20.6939 -20.6939 -19.1498 -19.1498 -15.9398 -15.9398 -13.6516 -13.6516 -8.7456 -8.7456 -8.7197 -8.7197 -7.9913 -7.9913 -7.9576 -7.9576 -5.4254 -5.4254 -5.3979 -5.3979 -4.1635 -4.1635 -4.1385 -4.1385 -3.8483 -3.8483 -2.9739 -2.9739 -1.9110 -1.9110 -1.8724 -1.8724 -1.6743 -1.6743 -1.6363 -1.6363 -1.5325 -1.5325 -0.6969 -0.6969 -0.6784 -0.6784 3.1706 3.1706 3.1789 3.1789 3.1974 3.1974 3.4103 3.4103 k = 0.5000 0.1578 0.0971 ( 5262 PWs) bands (ev): -28.5017 -28.5017 -28.4523 -28.4523 -20.8419 -20.8419 -20.6939 -20.6939 -19.1498 -19.1498 -15.9398 -15.9398 -13.6516 -13.6516 -8.7456 -8.7456 -8.7197 -8.7197 -7.9913 -7.9913 -7.9576 -7.9576 -5.4254 -5.4254 -5.3979 -5.3979 -4.1635 -4.1635 -4.1385 -4.1385 -3.8483 -3.8483 -2.9739 -2.9739 -1.9110 -1.9110 -1.8724 -1.8724 -1.6743 -1.6743 -1.6363 -1.6363 -1.5325 -1.5325 -0.6969 -0.6969 -0.6784 -0.6784 3.1706 3.1706 3.1789 3.1789 3.1974 3.1974 3.4103 3.4103 k = 0.4773 0.1506 0.0927 ( 5262 PWs) bands (ev): -28.5018 -28.5018 -28.4522 -28.4522 -20.8421 -20.8421 -20.6938 -20.6938 -19.1497 -19.1497 -15.9400 -15.9400 -13.6515 -13.6515 -8.7455 -8.7455 -8.7196 -8.7196 -7.9915 -7.9915 -7.9578 -7.9578 -5.4363 -5.4363 -5.3877 -5.3877 -4.1632 -4.1632 -4.1381 -4.1381 -3.8470 -3.8470 -2.9736 -2.9736 -1.9118 -1.9118 -1.8732 -1.8732 -1.6742 -1.6742 -1.6361 -1.6361 -1.5336 -1.5336 -0.6965 -0.6965 -0.6780 -0.6780 3.1705 3.1705 3.1788 3.1788 3.1970 3.1970 3.4103 3.4103 k = 0.4545 0.1434 0.0883 ( 5274 PWs) bands (ev): -28.5022 -28.5022 -28.4519 -28.4519 -20.8427 -20.8427 -20.6935 -20.6935 -19.1493 -19.1493 -15.9405 -15.9405 -13.6512 -13.6512 -8.7452 -8.7452 -8.7193 -8.7193 -7.9920 -7.9920 -7.9583 -7.9583 -5.4551 -5.4551 -5.3708 -5.3708 -4.1622 -4.1622 -4.1371 -4.1371 -3.8432 -3.8432 -2.9726 -2.9726 -1.9142 -1.9142 -1.8757 -1.8757 -1.6737 -1.6737 -1.6355 -1.6355 -1.5369 -1.5369 -0.6953 -0.6953 -0.6768 -0.6768 3.1701 3.1701 3.1785 3.1785 3.1957 3.1957 3.4103 3.4103 k = 0.4318 0.1363 0.0839 ( 5274 PWs) bands (ev): -28.5027 -28.5027 -28.4513 -28.4513 -20.8436 -20.8436 -20.6929 -20.6929 -19.1486 -19.1486 -15.9412 -15.9412 -13.6507 -13.6507 -8.7446 -8.7446 -8.7188 -8.7188 -7.9928 -7.9928 -7.9592 -7.9592 -5.4750 -5.4750 -5.3541 -5.3541 -4.1605 -4.1605 -4.1354 -4.1354 -3.8368 -3.8368 -2.9711 -2.9711 -1.9181 -1.9181 -1.8797 -1.8797 -1.6729 -1.6729 -1.6347 -1.6347 -1.5424 -1.5424 -0.6933 -0.6933 -0.6747 -0.6747 3.1696 3.1696 3.1780 3.1780 3.1937 3.1937 3.4103 3.4103 k = 0.4091 0.1291 0.0795 ( 5262 PWs) bands (ev): -28.5034 -28.5034 -28.4506 -28.4506 -20.8449 -20.8449 -20.6920 -20.6920 -19.1476 -19.1476 -15.9422 -15.9422 -13.6500 -13.6500 -8.7440 -8.7440 -8.7181 -8.7181 -7.9940 -7.9940 -7.9604 -7.9604 -5.4951 -5.4951 -5.3386 -5.3386 -4.1582 -4.1582 -4.1331 -4.1331 -3.8276 -3.8276 -2.9690 -2.9690 -1.9234 -1.9234 -1.8852 -1.8852 -1.6718 -1.6718 -1.6335 -1.6335 -1.5500 -1.5500 -0.6906 -0.6906 -0.6719 -0.6719 3.1689 3.1689 3.1773 3.1773 3.1911 3.1911 3.4103 3.4103 k = 0.3864 0.1219 0.0751 ( 5262 PWs) bands (ev): -28.5042 -28.5042 -28.4497 -28.4497 -20.8465 -20.8465 -20.6910 -20.6910 -19.1464 -19.1464 -15.9435 -15.9435 -13.6492 -13.6492 -8.7431 -8.7431 -8.7172 -8.7172 -7.9955 -7.9955 -7.9619 -7.9619 -5.5147 -5.5147 -5.3249 -5.3249 -4.1553 -4.1553 -4.1302 -4.1302 -3.8158 -3.8158 -2.9667 -2.9667 -1.9299 -1.9299 -1.8919 -1.8919 -1.6706 -1.6706 -1.6322 -1.6322 -1.5597 -1.5597 -0.6872 -0.6872 -0.6685 -0.6685 3.1679 3.1679 3.1764 3.1764 3.1880 3.1880 3.4104 3.4104 k = 0.3636 0.1147 0.0707 ( 5262 PWs) bands (ev): -28.5052 -28.5052 -28.4487 -28.4487 -20.8483 -20.8483 -20.6899 -20.6899 -19.1450 -19.1450 -15.9450 -15.9450 -13.6481 -13.6481 -8.7420 -8.7420 -8.7162 -8.7162 -7.9972 -7.9972 -7.9636 -7.9636 -5.5335 -5.5335 -5.3132 -5.3132 -4.1519 -4.1519 -4.1267 -4.1267 -3.8011 -3.8011 -2.9641 -2.9641 -1.9376 -1.9376 -1.8998 -1.8998 -1.6693 -1.6693 -1.6306 -1.6306 -1.5713 -1.5713 -0.6833 -0.6833 -0.6644 -0.6644 3.1668 3.1668 3.1754 3.1754 3.1845 3.1845 3.4104 3.4104 k = 0.3409 0.1076 0.0662 ( 5262 PWs) bands (ev): -28.5063 -28.5063 -28.4476 -28.4476 -20.8504 -20.8504 -20.6886 -20.6886 -19.1434 -19.1434 -15.9467 -15.9467 -13.6470 -13.6470 -8.7409 -8.7409 -8.7150 -8.7150 -7.9992 -7.9992 -7.9656 -7.9656 -5.5514 -5.5514 -5.3037 -5.3037 -4.1480 -4.1480 -4.1228 -4.1228 -3.7836 -3.7836 -2.9616 -2.9616 -1.9461 -1.9461 -1.9086 -1.9086 -1.6680 -1.6680 -1.6290 -1.6290 -1.5846 -1.5846 -0.6789 -0.6789 -0.6598 -0.6598 3.1655 3.1655 3.1743 3.1743 3.1809 3.1809 3.4104 3.4104 k = 0.3182 0.1004 0.0618 ( 5274 PWs) bands (ev): -28.5074 -28.5074 -28.4464 -28.4464 -20.8526 -20.8526 -20.6873 -20.6873 -19.1417 -19.1417 -15.9485 -15.9485 -13.6457 -13.6457 -8.7396 -8.7396 -8.7138 -8.7138 -8.0014 -8.0014 -7.9678 -7.9678 -5.5682 -5.5682 -5.2966 -5.2966 -4.1438 -4.1438 -4.1185 -4.1185 -3.7633 -3.7633 -2.9593 -2.9593 -1.9554 -1.9554 -1.9181 -1.9181 -1.6667 -1.6667 -1.6273 -1.6273 -1.5995 -1.5995 -0.6741 -0.6741 -0.6549 -0.6549 3.1641 3.1641 3.1730 3.1730 3.1774 3.1774 3.4104 3.4104 k = 0.2955 0.0932 0.0574 ( 5289 PWs) bands (ev): -28.5086 -28.5086 -28.4452 -28.4452 -20.8550 -20.8550 -20.6859 -20.6859 -19.1398 -19.1398 -15.9505 -15.9505 -13.6443 -13.6443 -8.7382 -8.7382 -8.7124 -8.7124 -8.0038 -8.0038 -7.9702 -7.9702 -5.5836 -5.5836 -5.2918 -5.2918 -4.1392 -4.1392 -4.1139 -4.1139 -3.7403 -3.7403 -2.9573 -2.9573 -1.9651 -1.9651 -1.9281 -1.9281 -1.6658 -1.6658 -1.6257 -1.6257 -1.6155 -1.6155 -0.6690 -0.6690 -0.6497 -0.6497 3.1625 3.1625 3.1716 3.1716 3.1741 3.1741 3.4104 3.4104 k = 0.2727 0.0861 0.0530 ( 5295 PWs) bands (ev): -28.5098 -28.5098 -28.4440 -28.4440 -20.8574 -20.8574 -20.6844 -20.6844 -19.1379 -19.1379 -15.9526 -15.9526 -13.6429 -13.6429 -8.7368 -8.7368 -8.7110 -8.7110 -8.0062 -8.0062 -7.9726 -7.9726 -5.5977 -5.5977 -5.2892 -5.2892 -4.1344 -4.1344 -4.1090 -4.1090 -3.7149 -3.7149 -2.9560 -2.9560 -1.9751 -1.9751 -1.9383 -1.9383 -1.6657 -1.6657 -1.6319 -1.6319 -1.6240 -1.6240 -0.6638 -0.6638 -0.6443 -0.6443 3.1608 3.1608 3.1702 3.1702 3.1710 3.1710 3.4105 3.4105 k = 0.2500 0.0789 0.0486 ( 5310 PWs) bands (ev): -28.5109 -28.5109 -28.4428 -28.4428 -20.8598 -20.8598 -20.6830 -20.6830 -19.1359 -19.1359 -15.9547 -15.9547 -13.6414 -13.6414 -8.7353 -8.7353 -8.7095 -8.7095 -8.0087 -8.0087 -7.9752 -7.9752 -5.6104 -5.6104 -5.2888 -5.2888 -4.1295 -4.1295 -4.1041 -4.1041 -3.6874 -3.6874 -2.9554 -2.9554 -1.9852 -1.9852 -1.9487 -1.9487 -1.6687 -1.6687 -1.6461 -1.6461 -1.6225 -1.6225 -0.6585 -0.6585 -0.6388 -0.6388 3.1592 3.1592 3.1684 3.1684 3.1688 3.1688 3.4105 3.4105 k = 0.2273 0.0717 0.0442 ( 5308 PWs) bands (ev): -28.5120 -28.5120 -28.4417 -28.4417 -20.8621 -20.8621 -20.6817 -20.6817 -19.1339 -19.1339 -15.9568 -15.9568 -13.6400 -13.6400 -8.7338 -8.7338 -8.7080 -8.7080 -8.0112 -8.0112 -7.9777 -7.9777 -5.6215 -5.6215 -5.2901 -5.2901 -4.1246 -4.1246 -4.0991 -4.0991 -3.6580 -3.6580 -2.9558 -2.9558 -1.9951 -1.9951 -1.9589 -1.9589 -1.6798 -1.6798 -1.6530 -1.6530 -1.6210 -1.6210 -0.6532 -0.6532 -0.6334 -0.6334 3.1576 3.1576 3.1661 3.1661 3.1674 3.1674 3.4105 3.4105 k = 0.2045 0.0645 0.0397 ( 5308 PWs) bands (ev): -28.5131 -28.5131 -28.4406 -28.4406 -20.8644 -20.8644 -20.6803 -20.6803 -19.1320 -19.1320 -15.9589 -15.9589 -13.6385 -13.6385 -8.7323 -8.7323 -8.7065 -8.7065 -8.0137 -8.0137 -7.9802 -7.9802 -5.6312 -5.6312 -5.2930 -5.2930 -4.1197 -4.1197 -4.0942 -4.0942 -3.6275 -3.6275 -2.9572 -2.9572 -2.0048 -2.0048 -1.9689 -1.9689 -1.6967 -1.6967 -1.6543 -1.6543 -1.6196 -1.6196 -0.6482 -0.6482 -0.6282 -0.6282 3.1561 3.1561 3.1643 3.1643 3.1660 3.1660 3.4105 3.4105 k = 0.1818 0.0574 0.0353 ( 5299 PWs) bands (ev): -28.5141 -28.5141 -28.4396 -28.4396 -20.8665 -20.8665 -20.6791 -20.6791 -19.1301 -19.1301 -15.9608 -15.9608 -13.6372 -13.6372 -8.7309 -8.7309 -8.7051 -8.7051 -8.0161 -8.0161 -7.9826 -7.9826 -5.6394 -5.6394 -5.2970 -5.2970 -4.1150 -4.1150 -4.0895 -4.0895 -3.5964 -3.5964 -2.9598 -2.9598 -2.0140 -2.0140 -1.9783 -1.9783 -1.7149 -1.7149 -1.6541 -1.6541 -1.6184 -1.6184 -0.6433 -0.6433 -0.6232 -0.6232 3.1549 3.1549 3.1627 3.1627 3.1647 3.1647 3.4106 3.4106 k = 0.1591 0.0502 0.0309 ( 5281 PWs) bands (ev): -28.5149 -28.5149 -28.4386 -28.4386 -20.8685 -20.8685 -20.6780 -20.6780 -19.1284 -19.1284 -15.9627 -15.9627 -13.6358 -13.6358 -8.7295 -8.7295 -8.7037 -8.7037 -8.0183 -8.0183 -7.9848 -7.9848 -5.6463 -5.6463 -5.3018 -5.3018 -4.1106 -4.1106 -4.0850 -4.0850 -3.5653 -3.5653 -2.9634 -2.9634 -2.0225 -2.0225 -1.9870 -1.9870 -1.7329 -1.7329 -1.6535 -1.6535 -1.6172 -1.6172 -0.6388 -0.6388 -0.6186 -0.6186 3.1538 3.1538 3.1615 3.1615 3.1634 3.1634 3.4106 3.4106 k = 0.1364 0.0430 0.0265 ( 5296 PWs) bands (ev): -28.5157 -28.5157 -28.4378 -28.4378 -20.8703 -20.8703 -20.6770 -20.6770 -19.1268 -19.1268 -15.9644 -15.9644 -13.6347 -13.6347 -8.7283 -8.7283 -8.7025 -8.7025 -8.0204 -8.0204 -7.9868 -7.9868 -5.6519 -5.6519 -5.3070 -5.3070 -4.1066 -4.1066 -4.0809 -4.0809 -3.5352 -3.5352 -2.9680 -2.9680 -2.0302 -2.0302 -1.9950 -1.9950 -1.7500 -1.7500 -1.6528 -1.6528 -1.6162 -1.6162 -0.6348 -0.6348 -0.6144 -0.6144 3.1529 3.1529 3.1606 3.1606 3.1623 3.1623 3.4106 3.4106 k = 0.1136 0.0359 0.0221 ( 5302 PWs) bands (ev): -28.5164 -28.5164 -28.4371 -28.4371 -20.8718 -20.8718 -20.6761 -20.6761 -19.1254 -19.1254 -15.9659 -15.9659 -13.6337 -13.6337 -8.7272 -8.7272 -8.7014 -8.7014 -8.0222 -8.0222 -7.9887 -7.9887 -5.6564 -5.6564 -5.3123 -5.3123 -4.1030 -4.1030 -4.0773 -4.0773 -3.5069 -3.5069 -2.9733 -2.9733 -2.0369 -2.0369 -2.0019 -2.0019 -1.7654 -1.7654 -1.6522 -1.6522 -1.6154 -1.6154 -0.6312 -0.6312 -0.6108 -0.6108 3.1522 3.1522 3.1600 3.1600 3.1613 3.1613 3.4106 3.4106 k = 0.0909 0.0287 0.0177 ( 5299 PWs) bands (ev): -28.5170 -28.5170 -28.4365 -28.4365 -20.8731 -20.8731 -20.6754 -20.6754 -19.1242 -19.1242 -15.9671 -15.9671 -13.6329 -13.6329 -8.7263 -8.7263 -8.7005 -8.7005 -8.0237 -8.0237 -7.9902 -7.9902 -5.6598 -5.6598 -5.3171 -5.3171 -4.1000 -4.1000 -4.0742 -4.0742 -3.4815 -3.4815 -2.9790 -2.9790 -2.0426 -2.0426 -2.0078 -2.0078 -1.7789 -1.7789 -1.6516 -1.6516 -1.6147 -1.6147 -0.6282 -0.6282 -0.6077 -0.6077 3.1516 3.1516 3.1596 3.1596 3.1605 3.1605 3.4106 3.4106 k = 0.0682 0.0215 0.0132 ( 5272 PWs) bands (ev): -28.5174 -28.5174 -28.4360 -28.4360 -20.8742 -20.8742 -20.6748 -20.6748 -19.1232 -19.1232 -15.9681 -15.9681 -13.6321 -13.6321 -8.7255 -8.7255 -8.6997 -8.6997 -8.0249 -8.0249 -7.9914 -7.9914 -5.6623 -5.6623 -5.3213 -5.3213 -4.0975 -4.0975 -4.0718 -4.0718 -3.4600 -3.4600 -2.9844 -2.9844 -2.0472 -2.0472 -2.0124 -2.0124 -1.7898 -1.7898 -1.6511 -1.6511 -1.6142 -1.6142 -0.6259 -0.6259 -0.6052 -0.6052 3.1512 3.1512 3.1594 3.1594 3.1598 3.1598 3.4107 3.4107 k = 0.0455 0.0143 0.0088 ( 5266 PWs) bands (ev): -28.5178 -28.5178 -28.4356 -28.4356 -20.8749 -20.8749 -20.6744 -20.6744 -19.1225 -19.1225 -15.9688 -15.9688 -13.6316 -13.6316 -8.7249 -8.7249 -8.6991 -8.6991 -8.0258 -8.0258 -7.9923 -7.9923 -5.6640 -5.6640 -5.3245 -5.3245 -4.0958 -4.0958 -4.0700 -4.0700 -3.4436 -3.4436 -2.9889 -2.9889 -2.0504 -2.0504 -2.0158 -2.0158 -1.7979 -1.7979 -1.6508 -1.6508 -1.6138 -1.6138 -0.6241 -0.6241 -0.6035 -0.6035 3.1509 3.1509 3.1593 3.1593 3.1593 3.1593 3.4107 3.4107 k = 0.0227 0.0072 0.0044 ( 5269 PWs) bands (ev): -28.5180 -28.5180 -28.4354 -28.4354 -20.8754 -20.8754 -20.6742 -20.6742 -19.1221 -19.1221 -15.9693 -15.9693 -13.6313 -13.6313 -8.7246 -8.7246 -8.6988 -8.6988 -8.0264 -8.0264 -7.9929 -7.9929 -5.6650 -5.6650 -5.3265 -5.3265 -4.0947 -4.0947 -4.0689 -4.0689 -3.4333 -3.4333 -2.9920 -2.9920 -2.0524 -2.0524 -2.0179 -2.0179 -1.8029 -1.8029 -1.6506 -1.6506 -1.6135 -1.6135 -0.6231 -0.6231 -0.6024 -0.6024 3.1506 3.1506 3.1590 3.1590 3.1593 3.1593 3.4107 3.4107 k = 0.0000 0.0000 0.0000 ( 5263 PWs) bands (ev): -28.5180 -28.5180 -28.4353 -28.4353 -20.8755 -20.8755 -20.6741 -20.6741 -19.1220 -19.1220 -15.9694 -15.9694 -13.6312 -13.6312 -8.7245 -8.7245 -8.6987 -8.6987 -8.0265 -8.0265 -7.9931 -7.9931 -5.6653 -5.6653 -5.3272 -5.3272 -4.0943 -4.0943 -4.0685 -4.0685 -3.4298 -3.4298 -2.9931 -2.9931 -2.0531 -2.0531 -2.0186 -2.0186 -1.8046 -1.8046 -1.6505 -1.6505 -1.6135 -1.6135 -0.6227 -0.6227 -0.6020 -0.6020 3.1506 3.1506 3.1589 3.1589 3.1593 3.1593 3.4107 3.4107 k = 0.0000 0.0000 0.0000 ( 5263 PWs) bands (ev): -28.5180 -28.5180 -28.4353 -28.4353 -20.8755 -20.8755 -20.6741 -20.6741 -19.1220 -19.1220 -15.9694 -15.9694 -13.6312 -13.6312 -8.7245 -8.7245 -8.6987 -8.6987 -8.0265 -8.0265 -7.9931 -7.9931 -5.6653 -5.6653 -5.3272 -5.3272 -4.0943 -4.0943 -4.0685 -4.0685 -3.4298 -3.4298 -2.9931 -2.9931 -2.0531 -2.0531 -2.0186 -2.0186 -1.8046 -1.8046 -1.6505 -1.6505 -1.6135 -1.6135 -0.6227 -0.6227 -0.6020 -0.6020 3.1506 3.1506 3.1589 3.1589 3.1593 3.1593 3.4107 3.4107 k = 0.0072-0.0102-0.0203 ( 5267 PWs) bands (ev): -28.5180 -28.5180 -28.4354 -28.4354 -20.8755 -20.8755 -20.6741 -20.6741 -19.1220 -19.1220 -15.9694 -15.9694 -13.6312 -13.6312 -8.7250 -8.7250 -8.6992 -8.6992 -8.0268 -8.0268 -7.9933 -7.9933 -5.6645 -5.6645 -5.3268 -5.3268 -4.0936 -4.0936 -4.0677 -4.0677 -3.4297 -3.4297 -2.9950 -2.9950 -2.0533 -2.0533 -2.0189 -2.0189 -1.8044 -1.8044 -1.6505 -1.6505 -1.6135 -1.6135 -0.6215 -0.6215 -0.6006 -0.6006 3.1428 3.1428 3.1520 3.1520 3.1585 3.1585 3.4146 3.4146 k = 0.0144-0.0205-0.0406 ( 5267 PWs) bands (ev): -28.5180 -28.5180 -28.4354 -28.4354 -20.8753 -20.8753 -20.6743 -20.6743 -19.1219 -19.1219 -15.9693 -15.9693 -13.6313 -13.6313 -8.7266 -8.7266 -8.7007 -8.7007 -8.0276 -8.0276 -7.9941 -7.9941 -5.6621 -5.6621 -5.3255 -5.3255 -4.0917 -4.0917 -4.0651 -4.0651 -3.4295 -3.4295 -3.0005 -3.0005 -2.0539 -2.0539 -2.0199 -2.0199 -1.8039 -1.8039 -1.6505 -1.6505 -1.6134 -1.6134 -0.6188 -0.6188 -0.5956 -0.5956 3.1091 3.1091 3.1437 3.1437 3.1596 3.1596 3.4216 3.4216 k = 0.0215-0.0307-0.0610 ( 5281 PWs) bands (ev): -28.5179 -28.5179 -28.4354 -28.4354 -20.8750 -20.8750 -20.6746 -20.6746 -19.1217 -19.1217 -15.9692 -15.9692 -13.6313 -13.6313 -8.7296 -8.7296 -8.7028 -8.7028 -8.0290 -8.0290 -7.9954 -7.9954 -5.6581 -5.6581 -5.3235 -5.3235 -4.0897 -4.0897 -4.0595 -4.0595 -3.4292 -3.4292 -3.0097 -3.0097 -2.0549 -2.0549 -2.0213 -2.0213 -1.8032 -1.8032 -1.6503 -1.6503 -1.6133 -1.6133 -0.6166 -0.6166 -0.5849 -0.5849 3.0613 3.0613 3.1308 3.1308 3.1629 3.1629 3.4321 3.4321 k = 0.0287-0.0410-0.0813 ( 5279 PWs) bands (ev): -28.5179 -28.5179 -28.4354 -28.4354 -20.8746 -20.8746 -20.6751 -20.6751 -19.1216 -19.1216 -15.9691 -15.9691 -13.6314 -13.6314 -8.7341 -8.7341 -8.7053 -8.7053 -8.0310 -8.0310 -7.9970 -7.9970 -5.6525 -5.6525 -5.3206 -5.3206 -4.0885 -4.0885 -4.0503 -4.0503 -3.4288 -3.4288 -3.0223 -3.0223 -2.0563 -2.0563 -2.0230 -2.0230 -1.8024 -1.8024 -1.6501 -1.6501 -1.6131 -1.6131 -0.6155 -0.6155 -0.5684 -0.5684 3.0057 3.0057 3.1141 3.1141 3.1681 3.1681 3.4453 3.4453 k = 0.0359-0.0512-0.1016 ( 5277 PWs) bands (ev): -28.5177 -28.5177 -28.4354 -28.4354 -20.8741 -20.8741 -20.6756 -20.6756 -19.1213 -19.1213 -15.9689 -15.9689 -13.6314 -13.6314 -8.7405 -8.7405 -8.7079 -8.7079 -8.0336 -8.0336 -7.9989 -7.9989 -5.6454 -5.6454 -5.3171 -5.3171 -4.0883 -4.0883 -4.0371 -4.0371 -3.4282 -3.4282 -3.0381 -3.0381 -2.0584 -2.0584 -2.0249 -2.0249 -1.8018 -1.8018 -1.6497 -1.6497 -1.6127 -1.6127 -0.6151 -0.6151 -0.5464 -0.5464 2.9450 2.9450 3.0944 3.0944 3.1747 3.1747 3.4603 3.4603 k = 0.0431-0.0615-0.1219 ( 5279 PWs) bands (ev): -28.5176 -28.5176 -28.4354 -28.4354 -20.8734 -20.8734 -20.6763 -20.6763 -19.1211 -19.1211 -15.9686 -15.9686 -13.6315 -13.6315 -8.7488 -8.7488 -8.7105 -8.7105 -8.0371 -8.0371 -8.0010 -8.0010 -5.6367 -5.6367 -5.3129 -5.3129 -4.0891 -4.0891 -4.0203 -4.0203 -3.4276 -3.4276 -3.0568 -3.0568 -2.0609 -2.0609 -2.0268 -2.0268 -1.8015 -1.8015 -1.6493 -1.6493 -1.6120 -1.6120 -0.6153 -0.6153 -0.5197 -0.5197 2.8807 2.8807 3.0727 3.0727 3.1828 3.1828 3.4767 3.4767 k = 0.0503-0.0717-0.1423 ( 5281 PWs) bands (ev): -28.5175 -28.5175 -28.4354 -28.4354 -20.8727 -20.8727 -20.6770 -20.6770 -19.1207 -19.1207 -15.9683 -15.9683 -13.6316 -13.6316 -8.7589 -8.7589 -8.7129 -8.7129 -8.0413 -8.0413 -8.0032 -8.0032 -5.6266 -5.6266 -5.3081 -5.3081 -4.0906 -4.0906 -4.0000 -4.0000 -3.4268 -3.4268 -3.0782 -3.0782 -2.0641 -2.0641 -2.0284 -2.0284 -1.8017 -1.8017 -1.6487 -1.6487 -1.6108 -1.6108 -0.6157 -0.6157 -0.4889 -0.4889 2.8135 2.8135 3.0494 3.0494 3.1924 3.1924 3.4938 3.4938 k = 0.0575-0.0820-0.1626 ( 5285 PWs) bands (ev): -28.5173 -28.5173 -28.4354 -28.4354 -20.8718 -20.8718 -20.6779 -20.6779 -19.1204 -19.1204 -15.9680 -15.9680 -13.6318 -13.6318 -8.7706 -8.7706 -8.7153 -8.7153 -8.0463 -8.0463 -8.0054 -8.0054 -5.6150 -5.6150 -5.3028 -5.3028 -4.0927 -4.0927 -3.9765 -3.9765 -3.4259 -3.4259 -3.1019 -3.1019 -2.0678 -2.0678 -2.0299 -2.0299 -1.8024 -1.8024 -1.6481 -1.6481 -1.6091 -1.6091 -0.6164 -0.6164 -0.4543 -0.4543 2.7440 2.7440 3.0250 3.0250 3.2032 3.2032 3.5114 3.5114 k = 0.0646-0.0922-0.1829 ( 5277 PWs) bands (ev): -28.5171 -28.5171 -28.4354 -28.4354 -20.8708 -20.8708 -20.6789 -20.6789 -19.1199 -19.1199 -15.9676 -15.9676 -13.6319 -13.6319 -8.7837 -8.7837 -8.7178 -8.7178 -8.0521 -8.0521 -8.0076 -8.0076 -5.6020 -5.6020 -5.2970 -5.2970 -4.0955 -4.0955 -3.9500 -3.9500 -3.4249 -3.4249 -3.1275 -3.1275 -2.0719 -2.0719 -2.0311 -2.0311 -1.8037 -1.8037 -1.6474 -1.6474 -1.6067 -1.6067 -0.6173 -0.6173 -0.4163 -0.4163 2.6726 2.6726 2.9999 2.9999 3.2154 3.2154 3.5292 3.5292 k = 0.0718-0.1025-0.2032 ( 5275 PWs) bands (ev): -28.5169 -28.5169 -28.4354 -28.4354 -20.8697 -20.8697 -20.6801 -20.6801 -19.1195 -19.1195 -15.9672 -15.9672 -13.6320 -13.6320 -8.7981 -8.7981 -8.7203 -8.7203 -8.0586 -8.0586 -8.0099 -8.0099 -5.5877 -5.5877 -5.2909 -5.2909 -4.0990 -4.0990 -3.9206 -3.9206 -3.4239 -3.4239 -3.1546 -3.1546 -2.0765 -2.0765 -2.0321 -2.0321 -1.8056 -1.8056 -1.6468 -1.6468 -1.6038 -1.6038 -0.6185 -0.6185 -0.3755 -0.3755 2.5995 2.5995 2.9745 2.9745 3.2288 3.2288 3.5471 3.5471 k = 0.0790-0.1127-0.2236 ( 5281 PWs) bands (ev): -28.5167 -28.5167 -28.4354 -28.4354 -20.8685 -20.8685 -20.6813 -20.6813 -19.1190 -19.1190 -15.9667 -15.9667 -13.6322 -13.6322 -8.8136 -8.8136 -8.7231 -8.7231 -8.0658 -8.0658 -8.0121 -8.0121 -5.5721 -5.5721 -5.2845 -5.2845 -4.1032 -4.1032 -3.8885 -3.8885 -3.4227 -3.4227 -3.1828 -3.1828 -2.0813 -2.0813 -2.0330 -2.0330 -1.8081 -1.8081 -1.6462 -1.6462 -1.6002 -1.6002 -0.6198 -0.6198 -0.3323 -0.3323 2.5251 2.5251 2.9489 2.9489 3.2434 3.2434 3.5649 3.5649 k = 0.0862-0.1230-0.2439 ( 5277 PWs) bands (ev): -28.5164 -28.5164 -28.4354 -28.4354 -20.8672 -20.8672 -20.6826 -20.6826 -19.1185 -19.1185 -15.9662 -15.9662 -13.6324 -13.6324 -8.8300 -8.8300 -8.7261 -8.7261 -8.0735 -8.0735 -8.0143 -8.0143 -5.5552 -5.5552 -5.2778 -5.2778 -4.1082 -4.1082 -3.8539 -3.8539 -3.4214 -3.4214 -3.2119 -3.2119 -2.0863 -2.0863 -2.0339 -2.0339 -1.8111 -1.8111 -1.6456 -1.6456 -1.5961 -1.5961 -0.6213 -0.6213 -0.2870 -0.2870 2.4495 2.4495 2.9235 2.9235 3.2590 3.2590 3.5826 3.5826 k = 0.0934-0.1332-0.2642 ( 5279 PWs) bands (ev): -28.5161 -28.5161 -28.4354 -28.4354 -20.8658 -20.8658 -20.6840 -20.6840 -19.1180 -19.1180 -15.9657 -15.9657 -13.6326 -13.6326 -8.8470 -8.8470 -8.7294 -8.7294 -8.0817 -8.0817 -8.0165 -8.0165 -5.5372 -5.5372 -5.2710 -5.2710 -4.1141 -4.1141 -3.8170 -3.8170 -3.4200 -3.4200 -3.2412 -3.2412 -2.0916 -2.0916 -2.0346 -2.0346 -1.8144 -1.8144 -1.6449 -1.6449 -1.5915 -1.5915 -0.6229 -0.6229 -0.2400 -0.2400 2.3730 2.3730 2.8984 2.8984 3.2757 3.2757 3.6001 3.6001 k = 0.1006-0.1435-0.2845 ( 5281 PWs) bands (ev): -28.5159 -28.5159 -28.4355 -28.4355 -20.8643 -20.8643 -20.6856 -20.6856 -19.1174 -19.1174 -15.9651 -15.9651 -13.6328 -13.6328 -8.8646 -8.8646 -8.7330 -8.7330 -8.0902 -8.0902 -8.0188 -8.0188 -5.5182 -5.5182 -5.2641 -5.2641 -4.1210 -4.1210 -3.7780 -3.7780 -3.4186 -3.4186 -3.2705 -3.2705 -2.0970 -2.0970 -2.0353 -2.0353 -1.8180 -1.8180 -1.6442 -1.6442 -1.5865 -1.5865 -0.6247 -0.6247 -0.1918 -0.1918 2.2959 2.2959 2.8740 2.8740 3.2933 3.2933 3.6173 3.6173 k = 0.1077-0.1537-0.3049 ( 5283 PWs) bands (ev): -28.5156 -28.5156 -28.4355 -28.4355 -20.8627 -20.8627 -20.6872 -20.6872 -19.1168 -19.1168 -15.9646 -15.9646 -13.6331 -13.6331 -8.8826 -8.8826 -8.7370 -8.7370 -8.0988 -8.0988 -8.0212 -8.0212 -5.4981 -5.4981 -5.2571 -5.2571 -4.1291 -4.1291 -3.7372 -3.7372 -3.4170 -3.4170 -3.2993 -3.2993 -2.1026 -2.1026 -2.0361 -2.0361 -1.8219 -1.8219 -1.6433 -1.6433 -1.5812 -1.5812 -0.6266 -0.6266 -0.1428 -0.1428 2.2182 2.2182 2.8503 2.8503 3.3117 3.3117 3.6342 3.6342 k = 0.1149-0.1640-0.3252 ( 5282 PWs) bands (ev): -28.5153 -28.5153 -28.4355 -28.4355 -20.8610 -20.8610 -20.6889 -20.6889 -19.1162 -19.1162 -15.9639 -15.9639 -13.6333 -13.6333 -8.9009 -8.9009 -8.7413 -8.7413 -8.1077 -8.1077 -8.0236 -8.0236 -5.4770 -5.4770 -5.2501 -5.2501 -4.1385 -4.1385 -3.6948 -3.6948 -3.4153 -3.4153 -3.3273 -3.3273 -2.1083 -2.1083 -2.0368 -2.0368 -1.8258 -1.8258 -1.6423 -1.6423 -1.5758 -1.5758 -0.6286 -0.6286 -0.0933 -0.0933 2.1403 2.1403 2.8278 2.8278 3.3309 3.3309 3.6508 3.6508 k = 0.1221-0.1742-0.3455 ( 5282 PWs) bands (ev): -28.5149 -28.5149 -28.4356 -28.4356 -20.8592 -20.8592 -20.6907 -20.6907 -19.1156 -19.1156 -15.9633 -15.9633 -13.6335 -13.6335 -8.9192 -8.9192 -8.7460 -8.7460 -8.1165 -8.1165 -8.0261 -8.0261 -5.4552 -5.4552 -5.2430 -5.2430 -4.1493 -4.1493 -3.6511 -3.6511 -3.4133 -3.4133 -3.3540 -3.3540 -2.1143 -2.1143 -2.0376 -2.0376 -1.8298 -1.8298 -1.6411 -1.6411 -1.5703 -1.5703 -0.6305 -0.6305 -0.0438 -0.0438 2.0623 2.0623 2.8064 2.8064 3.3506 3.3506 3.6670 3.6670 k = 0.1293-0.1845-0.3658 ( 5284 PWs) bands (ev): -28.5146 -28.5146 -28.4356 -28.4356 -20.8573 -20.8573 -20.6926 -20.6926 -19.1150 -19.1150 -15.9626 -15.9626 -13.6338 -13.6338 -8.9375 -8.9375 -8.7511 -8.7511 -8.1252 -8.1252 -8.0287 -8.0287 -5.4325 -5.4325 -5.2360 -5.2360 -4.1617 -4.1617 -3.6065 -3.6065 -3.4111 -3.4111 -3.3789 -3.3789 -2.1204 -2.1204 -2.0384 -2.0384 -1.8338 -1.8338 -1.6398 -1.6398 -1.5647 -1.5647 -0.6324 -0.6324 0.0055 0.0055 1.9845 1.9845 2.7866 2.7866 3.3710 3.3710 3.6827 3.6827 k = 0.1365-0.1947-0.3862 ( 5288 PWs) bands (ev): -28.5143 -28.5143 -28.4357 -28.4357 -20.8554 -20.8554 -20.6946 -20.6946 -19.1144 -19.1144 -15.9620 -15.9620 -13.6341 -13.6341 -8.9556 -8.9556 -8.7567 -8.7567 -8.1338 -8.1338 -8.0314 -8.0314 -5.4092 -5.4092 -5.2289 -5.2289 -4.1757 -4.1757 -3.5617 -3.5617 -3.4095 -3.4095 -3.4007 -3.4007 -2.1267 -2.1267 -2.0393 -2.0393 -1.8377 -1.8377 -1.6384 -1.6384 -1.5592 -1.5592 -0.6341 -0.6341 0.0541 0.0541 1.9069 1.9069 2.7684 2.7684 3.3917 3.3917 3.6979 3.6979 k = 0.1437-0.2050-0.4065 ( 5284 PWs) bands (ev): -28.5139 -28.5139 -28.4357 -28.4357 -20.8533 -20.8533 -20.6966 -20.6966 -19.1138 -19.1138 -15.9613 -15.9613 -13.6344 -13.6344 -8.9734 -8.9734 -8.7628 -8.7628 -8.1420 -8.1420 -8.0342 -8.0342 -5.3853 -5.3853 -5.2219 -5.2219 -4.1916 -4.1916 -3.5177 -3.5177 -3.4240 -3.4240 -3.4026 -3.4026 -2.1333 -2.1333 -2.0401 -2.0401 -1.8414 -1.8414 -1.6370 -1.6370 -1.5537 -1.5537 -0.6354 -0.6354 0.1017 0.1017 1.8298 1.8298 2.7521 2.7521 3.4128 3.4128 3.7127 3.7127 k = 0.1508-0.2152-0.4268 ( 5284 PWs) bands (ev): -28.5135 -28.5135 -28.4358 -28.4358 -20.8512 -20.8512 -20.6988 -20.6988 -19.1132 -19.1132 -15.9606 -15.9606 -13.6347 -13.6347 -8.9907 -8.9907 -8.7693 -8.7693 -8.1499 -8.1499 -8.0371 -8.0371 -5.3608 -5.3608 -5.2149 -5.2149 -4.2093 -4.2093 -3.4771 -3.4771 -3.4420 -3.4420 -3.3947 -3.3947 -2.1401 -2.1401 -2.0410 -2.0410 -1.8448 -1.8448 -1.6356 -1.6356 -1.5483 -1.5483 -0.6362 -0.6362 0.1478 0.1478 1.7535 1.7535 2.7379 2.7379 3.4340 3.4340 3.7269 3.7269 k = 0.1580-0.2255-0.4471 ( 5286 PWs) bands (ev): -28.5132 -28.5132 -28.4358 -28.4358 -20.8490 -20.8490 -20.7009 -20.7009 -19.1126 -19.1126 -15.9599 -15.9599 -13.6349 -13.6349 -9.0076 -9.0076 -8.7764 -8.7764 -8.1573 -8.1573 -8.0401 -8.0401 -5.3360 -5.3360 -5.2079 -5.2079 -4.2289 -4.2289 -3.4588 -3.4588 -3.4444 -3.4444 -3.3772 -3.3772 -2.1472 -2.1472 -2.0418 -2.0418 -1.8481 -1.8481 -1.6343 -1.6343 -1.5431 -1.5431 -0.6363 -0.6363 0.1922 0.1922 1.6779 1.6779 2.7260 2.7260 3.4554 3.4554 3.7405 3.7405 k = 0.1652-0.2357-0.4675 ( 5284 PWs) bands (ev): -28.5128 -28.5128 -28.4359 -28.4359 -20.8468 -20.8468 -20.7032 -20.7032 -19.1120 -19.1120 -15.9591 -15.9591 -13.6352 -13.6352 -9.0237 -9.0237 -8.7840 -8.7840 -8.1642 -8.1642 -8.0432 -8.0432 -5.3108 -5.3108 -5.2009 -5.2009 -4.2504 -4.2504 -3.4711 -3.4711 -3.4280 -3.4280 -3.3454 -3.3454 -2.1546 -2.1546 -2.0426 -2.0426 -1.8510 -1.8510 -1.6334 -1.6334 -1.5380 -1.5380 -0.6355 -0.6355 0.2345 0.2345 1.6033 1.6033 2.7165 2.7165 3.4767 3.4767 3.7535 3.7535 k = 0.1724-0.2459-0.4878 ( 5278 PWs) bands (ev): -28.5124 -28.5124 -28.4360 -28.4360 -20.8444 -20.8444 -20.7055 -20.7055 -19.1114 -19.1114 -15.9584 -15.9584 -13.6356 -13.6356 -9.0392 -9.0392 -8.7922 -8.7922 -8.1705 -8.1705 -8.0464 -8.0464 -5.2855 -5.2855 -5.1939 -5.1939 -4.2736 -4.2736 -3.4810 -3.4810 -3.4202 -3.4202 -3.3051 -3.3051 -2.1623 -2.1623 -2.0434 -2.0434 -1.8536 -1.8536 -1.6330 -1.6330 -1.5331 -1.5331 -0.6334 -0.6334 0.2744 0.2744 1.5299 1.5299 2.7097 2.7097 3.4978 3.4978 3.7657 3.7657 k = 0.1796-0.2562-0.5081 ( 5280 PWs) bands (ev): -28.5121 -28.5121 -28.4361 -28.4361 -20.8421 -20.8421 -20.7078 -20.7078 -19.1109 -19.1109 -15.9577 -15.9577 -13.6359 -13.6359 -9.0538 -9.0538 -8.8009 -8.8009 -8.1762 -8.1762 -8.0497 -8.0497 -5.2600 -5.2600 -5.1869 -5.1869 -4.2986 -4.2986 -3.4878 -3.4878 -3.4158 -3.4158 -3.2622 -3.2622 -2.1702 -2.1702 -2.0441 -2.0441 -1.8558 -1.8558 -1.6332 -1.6332 -1.5284 -1.5284 -0.6298 -0.6298 0.3115 0.3115 1.4578 1.4578 2.7056 2.7056 3.5187 3.5187 3.7773 3.7773 k = 0.1868-0.2664-0.5284 ( 5276 PWs) bands (ev): -28.5117 -28.5117 -28.4362 -28.4362 -20.8396 -20.8396 -20.7102 -20.7102 -19.1104 -19.1104 -15.9569 -15.9569 -13.6362 -13.6362 -9.0675 -9.0675 -8.8101 -8.8101 -8.1812 -8.1812 -8.0531 -8.0531 -5.2346 -5.2346 -5.1797 -5.1797 -4.3251 -4.3251 -3.4917 -3.4917 -3.4128 -3.4128 -3.2191 -3.2191 -2.1785 -2.1785 -2.0447 -2.0447 -1.8576 -1.8576 -1.6343 -1.6343 -1.5238 -1.5238 -0.6243 -0.6243 0.3456 0.3456 1.3871 1.3871 2.7044 2.7044 3.5393 3.5393 3.7881 3.7881 k = 0.1939-0.2767-0.5488 ( 5276 PWs) bands (ev): -28.5113 -28.5113 -28.4363 -28.4363 -20.8372 -20.8372 -20.7127 -20.7127 -19.1099 -19.1099 -15.9562 -15.9562 -13.6365 -13.6365 -9.0802 -9.0802 -8.8198 -8.8198 -8.1854 -8.1854 -8.0566 -8.0566 -5.2095 -5.2095 -5.1723 -5.1723 -4.3530 -4.3530 -3.4927 -3.4927 -3.4105 -3.4105 -3.1769 -3.1769 -2.1871 -2.1871 -2.0452 -2.0452 -1.8591 -1.8591 -1.6364 -1.6364 -1.5195 -1.5195 -0.6167 -0.6167 0.3764 0.3764 1.3180 1.3180 2.7061 2.7061 3.5593 3.5593 3.7982 3.7982 k = 0.2011-0.2869-0.5691 ( 5284 PWs) bands (ev): -28.5109 -28.5109 -28.4364 -28.4364 -20.8346 -20.8346 -20.7151 -20.7151 -19.1095 -19.1095 -15.9555 -15.9555 -13.6368 -13.6368 -9.0919 -9.0919 -8.8300 -8.8300 -8.1889 -8.1889 -8.0602 -8.0602 -5.1852 -5.1852 -5.1641 -5.1641 -4.3820 -4.3820 -3.4907 -3.4907 -3.4086 -3.4086 -3.1362 -3.1362 -2.1960 -2.1960 -2.0455 -2.0455 -1.8602 -1.8602 -1.6399 -1.6399 -1.5154 -1.5154 -0.6064 -0.6064 0.4036 0.4036 1.2505 1.2505 2.7108 2.7108 3.5788 3.5788 3.8074 3.8074 k = 0.2083-0.2972-0.5894 ( 5288 PWs) bands (ev): -28.5106 -28.5106 -28.4365 -28.4365 -20.8321 -20.8321 -20.7177 -20.7177 -19.1091 -19.1091 -15.9547 -15.9547 -13.6371 -13.6371 -9.1024 -9.1024 -8.8407 -8.8407 -8.1916 -8.1916 -8.0638 -8.0638 -5.1651 -5.1651 -5.1519 -5.1519 -4.4120 -4.4120 -3.4858 -3.4858 -3.4068 -3.4068 -3.0976 -3.0976 -2.2051 -2.2051 -2.0457 -2.0457 -1.8608 -1.8608 -1.6448 -1.6448 -1.5115 -1.5115 -0.5932 -0.5932 0.4271 0.4271 1.1848 1.1848 2.7185 2.7185 3.5977 3.5977 3.8158 3.8158 k = 0.2155-0.3074-0.6097 ( 5288 PWs) bands (ev): -28.5102 -28.5102 -28.4367 -28.4367 -20.8295 -20.8295 -20.7202 -20.7202 -19.1087 -19.1087 -15.9540 -15.9540 -13.6375 -13.6375 -9.1118 -9.1118 -8.8519 -8.8519 -8.1936 -8.1936 -8.0676 -8.0676 -5.1539 -5.1539 -5.1310 -5.1310 -4.4428 -4.4428 -3.4782 -3.4782 -3.4052 -3.4052 -3.0615 -3.0615 -2.2146 -2.2146 -2.0458 -2.0458 -1.8611 -1.8611 -1.6513 -1.6513 -1.5079 -1.5079 -0.5767 -0.5767 0.4467 0.4467 1.1209 1.1209 2.7290 2.7290 3.6158 3.6158 3.8235 3.8235 k = 0.2227-0.3177-0.6301 ( 5284 PWs) bands (ev): -28.5098 -28.5098 -28.4368 -28.4368 -20.8268 -20.8268 -20.7227 -20.7227 -19.1084 -19.1084 -15.9533 -15.9533 -13.6378 -13.6378 -9.1200 -9.1200 -8.8634 -8.8634 -8.1947 -8.1947 -8.0714 -8.0714 -5.1455 -5.1455 -5.1077 -5.1077 -4.4741 -4.4741 -3.4680 -3.4680 -3.4036 -3.4036 -3.0283 -3.0283 -2.2243 -2.2243 -2.0457 -2.0457 -1.8610 -1.8610 -1.6595 -1.6595 -1.5044 -1.5044 -0.5566 -0.5566 0.4623 0.4623 1.0590 1.0590 2.7423 2.7423 3.6330 3.6330 3.8304 3.8304 k = 0.2299-0.3279-0.6504 ( 5284 PWs) bands (ev): -28.5095 -28.5095 -28.4370 -28.4370 -20.8242 -20.8242 -20.7253 -20.7253 -19.1081 -19.1081 -15.9526 -15.9526 -13.6381 -13.6381 -9.1270 -9.1270 -8.8753 -8.8753 -8.1951 -8.1951 -8.0754 -8.0754 -5.1374 -5.1374 -5.0843 -5.0843 -4.5059 -4.5059 -3.4551 -3.4551 -3.4021 -3.4021 -2.9982 -2.9982 -2.2342 -2.2342 -2.0455 -2.0455 -1.8605 -1.8605 -1.6694 -1.6694 -1.5011 -1.5011 -0.5326 -0.5326 0.4738 0.4738 0.9990 0.9990 2.7581 2.7581 3.6494 3.6494 3.8365 3.8365 k = 0.2370-0.3382-0.6707 ( 5286 PWs) bands (ev): -28.5091 -28.5091 -28.4371 -28.4371 -20.8215 -20.8215 -20.7279 -20.7279 -19.1079 -19.1079 -15.9519 -15.9519 -13.6385 -13.6385 -9.1327 -9.1327 -8.8875 -8.8875 -8.1948 -8.1948 -8.0794 -8.0794 -5.1293 -5.1293 -5.0615 -5.0615 -4.5378 -4.5378 -3.4398 -3.4398 -3.4006 -3.4006 -2.9717 -2.9717 -2.2443 -2.2443 -2.0451 -2.0451 -1.8597 -1.8597 -1.6810 -1.6810 -1.4980 -1.4980 -0.5046 -0.5046 0.4813 0.4813 0.9410 0.9410 2.7763 2.7763 3.6648 3.6648 3.8419 3.8419 k = 0.2442-0.3484-0.6910 ( 5290 PWs) bands (ev): -28.5088 -28.5088 -28.4373 -28.4373 -20.8188 -20.8188 -20.7305 -20.7305 -19.1077 -19.1077 -15.9512 -15.9512 -13.6388 -13.6388 -9.1371 -9.1371 -8.9000 -8.9000 -8.1937 -8.1937 -8.0835 -8.0835 -5.1211 -5.1211 -5.0393 -5.0393 -4.5697 -4.5697 -3.4222 -3.4222 -3.3990 -3.3990 -2.9491 -2.9491 -2.2546 -2.2546 -2.0445 -2.0445 -1.8585 -1.8585 -1.6940 -1.6940 -1.4952 -1.4952 -0.4725 -0.4725 0.4848 0.4848 0.8850 0.8850 2.7965 2.7965 3.6792 3.6792 3.8468 3.8468 k = 0.2514-0.3587-0.7114 ( 5296 PWs) bands (ev): -28.5084 -28.5084 -28.4375 -28.4375 -20.8162 -20.8162 -20.7330 -20.7330 -19.1076 -19.1076 -15.9505 -15.9505 -13.6391 -13.6391 -9.1402 -9.1402 -8.9127 -8.9127 -8.1919 -8.1919 -8.0878 -8.0878 -5.1125 -5.1125 -5.0179 -5.0179 -4.6015 -4.6015 -3.4039 -3.4039 -3.3956 -3.3956 -2.9307 -2.9307 -2.2650 -2.2650 -2.0439 -2.0439 -1.8570 -1.8570 -1.7083 -1.7083 -1.4925 -1.4925 -0.4361 -0.4361 0.4842 0.4842 0.8311 0.8311 2.8183 2.8183 3.6926 3.6926 3.8511 3.8511 k = 0.2586-0.3689-0.7317 ( 5298 PWs) bands (ev): -28.5081 -28.5081 -28.4376 -28.4376 -20.8135 -20.8135 -20.7356 -20.7356 -19.1075 -19.1075 -15.9499 -15.9499 -13.6394 -13.6394 -9.1420 -9.1420 -8.9256 -8.9256 -8.1895 -8.1895 -8.0921 -8.0921 -5.1037 -5.1037 -4.9974 -4.9974 -4.6329 -4.6329 -3.3977 -3.3977 -3.3779 -3.3779 -2.9167 -2.9167 -2.2755 -2.2755 -2.0432 -2.0432 -1.8553 -1.8553 -1.7236 -1.7236 -1.4900 -1.4900 -0.3955 -0.3955 0.4798 0.4798 0.7792 0.7792 2.8414 2.8414 3.7050 3.7050 3.8552 3.8552 k = 0.2658-0.3792-0.7520 ( 5300 PWs) bands (ev): -28.5078 -28.5078 -28.4378 -28.4378 -20.8108 -20.8108 -20.7382 -20.7382 -19.1075 -19.1075 -15.9493 -15.9493 -13.6398 -13.6398 -9.1425 -9.1425 -8.9387 -8.9387 -8.1865 -8.1865 -8.0964 -8.0964 -5.0945 -5.0945 -4.9780 -4.9780 -4.6639 -4.6639 -3.3960 -3.3960 -3.3536 -3.3536 -2.9074 -2.9074 -2.2861 -2.2861 -2.0425 -2.0425 -1.8533 -1.8533 -1.7394 -1.7394 -1.4876 -1.4876 -0.3508 -0.3508 0.4715 0.4715 0.7294 0.7294 2.8653 2.8653 3.7162 3.7162 3.8590 3.8590 k = 0.2729-0.3894-0.7723 ( 5298 PWs) bands (ev): -28.5074 -28.5074 -28.4380 -28.4380 -20.8081 -20.8081 -20.7407 -20.7407 -19.1075 -19.1075 -15.9487 -15.9487 -13.6401 -13.6401 -9.1417 -9.1417 -8.9518 -8.9518 -8.1829 -8.1829 -8.1009 -8.1009 -5.0850 -5.0850 -4.9597 -4.9597 -4.6941 -4.6941 -3.3945 -3.3945 -3.3268 -3.3268 -2.9029 -2.9029 -2.2967 -2.2967 -2.0417 -2.0417 -1.8512 -1.8512 -1.7554 -1.7554 -1.4855 -1.4855 -0.3021 -0.3021 0.4596 0.4596 0.6816 0.6816 2.8896 2.8896 3.7264 3.7264 3.8629 3.8629 k = 0.2801-0.3997-0.7927 ( 5296 PWs) bands (ev): -28.5071 -28.5071 -28.4382 -28.4382 -20.8054 -20.8054 -20.7432 -20.7432 -19.1075 -19.1075 -15.9481 -15.9481 -13.6404 -13.6404 -9.1396 -9.1396 -8.9649 -8.9649 -8.1788 -8.1788 -8.1053 -8.1053 -5.0749 -5.0749 -4.9428 -4.9428 -4.7234 -4.7234 -3.3931 -3.3931 -3.2980 -3.2980 -2.9036 -2.9036 -2.3072 -2.3072 -2.0410 -2.0410 -1.8491 -1.8491 -1.7711 -1.7711 -1.4835 -1.4835 -0.2496 -0.2496 0.4441 0.4441 0.6357 0.6357 2.9138 2.9138 3.7356 3.7356 3.8671 3.8671 k = 0.2873-0.4099-0.8130 ( 5290 PWs) bands (ev): -28.5068 -28.5068 -28.4384 -28.4384 -20.8028 -20.8028 -20.7457 -20.7457 -19.1076 -19.1076 -15.9475 -15.9475 -13.6407 -13.6407 -9.1362 -9.1362 -8.9780 -8.9780 -8.1744 -8.1744 -8.1098 -8.1098 -5.0644 -5.0644 -4.9277 -4.9277 -4.7513 -4.7513 -3.3918 -3.3918 -3.2672 -3.2672 -2.9094 -2.9094 -2.3177 -2.3177 -2.0403 -2.0403 -1.8471 -1.8471 -1.7858 -1.7858 -1.4816 -1.4816 -0.1935 -0.1935 0.4253 0.4253 0.5918 0.5918 2.9375 2.9375 3.7437 3.7437 3.8718 3.8718 k = 0.2945-0.4202-0.8333 ( 5298 PWs) bands (ev): -28.5066 -28.5066 -28.4386 -28.4386 -20.8002 -20.8002 -20.7482 -20.7482 -19.1078 -19.1078 -15.9470 -15.9470 -13.6410 -13.6410 -9.1316 -9.1316 -8.9910 -8.9910 -8.1697 -8.1697 -8.1142 -8.1142 -5.0534 -5.0534 -4.9150 -4.9150 -4.7771 -4.7771 -3.3905 -3.3905 -3.2345 -3.2345 -2.9204 -2.9204 -2.3279 -2.3279 -2.0397 -2.0397 -1.8459 -1.8459 -1.7988 -1.7988 -1.4799 -1.4799 -0.1341 -0.1341 0.4033 0.4033 0.5499 0.5499 2.9600 2.9600 3.7507 3.7507 3.8773 3.8773 k = 0.3017-0.4304-0.8536 ( 5290 PWs) bands (ev): -28.5063 -28.5063 -28.4388 -28.4388 -20.7976 -20.7976 -20.7506 -20.7506 -19.1080 -19.1080 -15.9465 -15.9465 -13.6413 -13.6413 -9.1259 -9.1259 -9.0039 -9.0039 -8.1650 -8.1650 -8.1184 -8.1184 -5.0419 -5.0419 -4.9061 -4.9061 -4.7993 -4.7993 -3.3892 -3.3892 -3.2001 -3.2001 -2.9365 -2.9365 -2.3380 -2.3380 -2.0392 -2.0392 -1.8464 -1.8464 -1.8088 -1.8088 -1.4784 -1.4784 -0.0715 -0.0715 0.3783 0.3783 0.5098 0.5098 2.9810 2.9810 3.7568 3.7568 3.8838 3.8838 k = 0.3089-0.4407-0.8740 ( 5292 PWs) bands (ev): -28.5060 -28.5060 -28.4390 -28.4390 -20.7950 -20.7950 -20.7530 -20.7530 -19.1082 -19.1082 -15.9460 -15.9460 -13.6416 -13.6416 -9.1190 -9.1190 -9.0166 -9.0166 -8.1607 -8.1607 -8.1220 -8.1220 -5.0297 -5.0297 -4.9039 -4.9039 -4.8150 -4.8150 -3.3880 -3.3880 -3.1642 -3.1642 -2.9577 -2.9577 -2.3478 -2.3478 -2.0388 -2.0388 -1.8497 -1.8497 -1.8146 -1.8146 -1.4769 -1.4769 -0.0061 -0.0061 0.3503 0.3503 0.4715 0.4715 3.0000 3.0000 3.7619 3.7619 3.8915 3.8915 k = 0.3160-0.4509-0.8943 ( 5280 PWs) bands (ev): -28.5058 -28.5058 -28.4392 -28.4392 -20.7925 -20.7925 -20.7554 -20.7554 -19.1085 -19.1085 -15.9455 -15.9455 -13.6418 -13.6418 -9.1111 -9.1111 -9.0290 -9.0290 -8.1573 -8.1573 -8.1244 -8.1244 -5.0170 -5.0170 -4.9108 -4.9108 -4.8215 -4.8215 -3.3868 -3.3868 -3.1269 -3.1269 -2.9837 -2.9837 -2.3571 -2.3571 -2.0384 -2.0384 -1.8558 -1.8558 -1.8160 -1.8160 -1.4756 -1.4756 0.0618 0.0618 0.3197 0.3197 0.4351 0.4351 3.0168 3.0168 3.7661 3.7661 3.9007 3.9007 k = 0.3232-0.4612-0.9146 ( 5274 PWs) bands (ev): -28.5056 -28.5056 -28.4394 -28.4394 -20.7900 -20.7900 -20.7577 -20.7577 -19.1088 -19.1088 -15.9451 -15.9451 -13.6421 -13.6421 -9.1023 -9.1023 -9.0409 -9.0409 -8.1560 -8.1560 -8.1247 -8.1247 -5.0038 -5.0038 -4.9257 -4.9257 -4.8200 -4.8200 -3.3856 -3.3856 -3.0885 -3.0885 -3.0142 -3.0142 -2.3660 -2.3660 -2.0381 -2.0381 -1.8631 -1.8631 -1.8145 -1.8145 -1.4744 -1.4744 0.1318 0.1318 0.2865 0.2865 0.4006 0.4006 3.0311 3.0311 3.7694 3.7694 3.9116 3.9116 k = 0.3304-0.4714-0.9349 ( 5276 PWs) bands (ev): -28.5053 -28.5053 -28.4397 -28.4397 -20.7876 -20.7876 -20.7599 -20.7599 -19.1092 -19.1092 -15.9446 -15.9446 -13.6424 -13.6424 -9.0930 -9.0930 -9.0521 -9.0521 -8.1572 -8.1572 -8.1223 -8.1223 -4.9906 -4.9906 -4.9442 -4.9442 -4.8141 -4.8141 -3.3845 -3.3845 -3.0550 -3.0550 -3.0430 -3.0430 -2.3742 -2.3742 -2.0378 -2.0378 -1.8704 -1.8704 -1.8116 -1.8116 -1.4733 -1.4733 0.2028 0.2028 0.2515 0.2515 0.3683 0.3683 3.0425 3.0425 3.7718 3.7718 3.9241 3.9241 k = 0.3376-0.4816-0.9553 ( 5276 PWs) bands (ev): -28.5051 -28.5051 -28.4399 -28.4399 -20.7852 -20.7852 -20.7621 -20.7621 -19.1095 -19.1095 -15.9442 -15.9442 -13.6426 -13.6426 -9.0849 -9.0849 -9.0607 -9.0607 -8.1606 -8.1606 -8.1179 -8.1179 -4.9820 -4.9820 -4.9589 -4.9589 -4.8065 -4.8065 -3.3834 -3.3834 -3.0890 -3.0890 -3.0075 -3.0075 -2.3816 -2.3816 -2.0374 -2.0374 -1.8772 -1.8772 -1.8078 -1.8078 -1.4724 -1.4724 0.2118 0.2118 0.2751 0.2751 0.3406 0.3406 3.0512 3.0512 3.7733 3.7733 3.9384 3.9384 k = 0.3448-0.4919-0.9756 ( 5280 PWs) bands (ev): -28.5049 -28.5049 -28.4401 -28.4401 -20.7829 -20.7829 -20.7642 -20.7642 -19.1099 -19.1099 -15.9439 -15.9439 -13.6429 -13.6429 -9.0847 -9.0847 -9.0604 -9.0604 -8.1654 -8.1654 -8.1121 -8.1121 -4.9937 -4.9937 -4.9527 -4.9527 -4.7985 -4.7985 -3.3824 -3.3824 -3.1312 -3.1312 -2.9669 -2.9669 -2.3881 -2.3881 -2.0368 -2.0368 -1.8832 -1.8832 -1.8035 -1.8035 -1.4715 -1.4715 0.1722 0.1722 0.2980 0.2980 0.3631 0.3631 3.0571 3.0571 3.7740 3.7740 3.9540 3.9540 k = 0.6552-0.3341-0.8785 ( 5280 PWs) bands (ev): -28.5049 -28.5049 -28.4401 -28.4401 -20.7829 -20.7829 -20.7642 -20.7642 -19.1099 -19.1099 -15.9439 -15.9439 -13.6429 -13.6429 -9.0847 -9.0847 -9.0604 -9.0604 -8.1654 -8.1654 -8.1121 -8.1121 -4.9937 -4.9937 -4.9527 -4.9527 -4.7985 -4.7985 -3.3824 -3.3824 -3.1312 -3.1312 -2.9669 -2.9669 -2.3881 -2.3881 -2.0368 -2.0368 -1.8832 -1.8832 -1.8035 -1.8035 -1.4715 -1.4715 0.1722 0.1722 0.2980 0.2980 0.3631 0.3631 3.0571 3.0571 3.7740 3.7740 3.9540 3.9540 k = 0.6482-0.3118-0.8785 ( 5280 PWs) bands (ev): -28.5047 -28.5047 -28.4403 -28.4403 -20.7808 -20.7808 -20.7662 -20.7662 -19.1104 -19.1104 -15.9435 -15.9435 -13.6431 -13.6431 -9.0925 -9.0925 -9.0509 -9.0509 -8.1709 -8.1709 -8.1057 -8.1057 -5.0132 -5.0132 -4.9376 -4.9376 -4.7906 -4.7906 -3.3815 -3.3815 -3.1758 -3.1758 -2.9267 -2.9267 -2.3932 -2.3932 -2.0361 -2.0361 -1.8885 -1.8885 -1.7988 -1.7988 -1.4707 -1.4707 0.1311 0.1311 0.2740 0.2740 0.4349 0.4349 3.0604 3.0604 3.7737 3.7737 3.9496 3.9496 k = 0.6411-0.2894-0.8785 ( 5280 PWs) bands (ev): -28.5046 -28.5046 -28.4405 -28.4405 -20.7786 -20.7786 -20.7681 -20.7681 -19.1108 -19.1108 -15.9432 -15.9432 -13.6434 -13.6434 -9.1021 -9.1021 -9.0385 -9.0385 -8.1769 -8.1769 -8.0989 -8.0989 -5.0332 -5.0332 -4.9204 -4.9204 -4.7830 -4.7830 -3.3808 -3.3808 -3.2230 -3.2230 -2.8868 -2.8868 -2.3969 -2.3969 -2.0352 -2.0352 -1.8931 -1.8931 -1.7938 -1.7938 -1.4700 -1.4700 0.0882 0.0882 0.2483 0.2483 0.5109 0.5109 3.0612 3.0612 3.7721 3.7721 3.9185 3.9185 k = 0.6341-0.2670-0.8785 ( 5276 PWs) bands (ev): -28.5044 -28.5044 -28.4408 -28.4408 -20.7766 -20.7766 -20.7700 -20.7700 -19.1112 -19.1112 -15.9429 -15.9429 -13.6436 -13.6436 -9.1119 -9.1119 -9.0249 -9.0249 -8.1834 -8.1834 -8.0919 -8.0919 -5.0529 -5.0529 -4.9020 -4.9020 -4.7759 -4.7759 -3.3804 -3.3804 -3.2722 -3.2722 -2.8478 -2.8478 -2.3987 -2.3987 -2.0340 -2.0340 -1.8973 -1.8973 -1.7884 -1.7884 -1.4695 -1.4695 0.0438 0.0438 0.2237 0.2237 0.5881 0.5881 3.0599 3.0599 3.7688 3.7688 3.8865 3.8865 k = 0.6270-0.2447-0.8785 ( 5286 PWs) bands (ev): -28.5043 -28.5043 -28.4410 -28.4410 -20.7746 -20.7746 -20.7718 -20.7718 -19.1117 -19.1117 -15.9426 -15.9426 -13.6438 -13.6438 -9.1216 -9.1216 -9.0105 -9.0105 -8.1902 -8.1902 -8.0848 -8.0848 -5.0718 -5.0718 -4.8824 -4.8824 -4.7693 -4.7693 -3.3810 -3.3810 -3.3223 -3.3223 -2.8102 -2.8102 -2.3982 -2.3982 -2.0326 -2.0326 -1.9011 -1.9011 -1.7827 -1.7827 -1.4690 -1.4690 -0.0021 -0.0021 0.2002 0.2002 0.6660 0.6660 3.0567 3.0567 3.7622 3.7622 3.8555 3.8555 k = 0.6199-0.2223-0.8785 ( 5286 PWs) bands (ev): -28.5041 -28.5041 -28.4412 -28.4412 -20.7735 -20.7735 -20.7727 -20.7727 -19.1122 -19.1122 -15.9423 -15.9423 -13.6440 -13.6440 -9.1309 -9.1309 -8.9956 -8.9956 -8.1972 -8.1972 -8.0777 -8.0777 -5.0900 -5.0900 -4.8616 -4.8616 -4.7631 -4.7631 -3.3913 -3.3913 -3.3644 -3.3644 -2.7749 -2.7749 -2.3947 -2.3947 -2.0309 -2.0309 -1.9047 -1.9047 -1.7766 -1.7766 -1.4687 -1.4687 -0.0491 -0.0491 0.1780 0.1780 0.7443 0.7443 3.0520 3.0520 3.7492 3.7492 3.8286 3.8286 k = 0.6129-0.2000-0.8785 ( 5282 PWs) bands (ev): -28.5040 -28.5040 -28.4413 -28.4413 -20.7752 -20.7752 -20.7709 -20.7709 -19.1126 -19.1126 -15.9421 -15.9421 -13.6442 -13.6442 -9.1398 -9.1398 -8.9803 -8.9803 -8.2045 -8.2045 -8.0706 -8.0706 -5.1073 -5.1073 -4.8396 -4.8396 -4.7573 -4.7573 -3.4361 -3.4361 -3.3731 -3.3731 -2.7428 -2.7428 -2.3877 -2.3877 -2.0289 -2.0289 -1.9080 -1.9080 -1.7700 -1.7700 -1.4685 -1.4685 -0.0970 -0.0970 0.1572 0.1572 0.8225 0.8225 3.0460 3.0460 3.7263 3.7263 3.8100 3.8100 k = 0.6058-0.1776-0.8785 ( 5274 PWs) bands (ev): -28.5039 -28.5039 -28.4415 -28.4415 -20.7767 -20.7767 -20.7692 -20.7692 -19.1131 -19.1131 -15.9418 -15.9418 -13.6443 -13.6443 -9.1483 -9.1483 -8.9647 -8.9647 -8.2120 -8.2120 -8.0638 -8.0638 -5.1236 -5.1236 -4.8165 -4.8165 -4.7521 -4.7521 -3.4901 -3.4901 -3.3738 -3.3738 -2.7145 -2.7145 -2.3765 -2.3765 -2.0266 -2.0266 -1.9113 -1.9113 -1.7629 -1.7629 -1.4685 -1.4685 -0.1457 -0.1457 0.1377 0.1377 0.9004 0.9004 3.0389 3.0389 3.6937 3.6937 3.7993 3.7993 k = 0.5988-0.1552-0.8785 ( 5278 PWs) bands (ev): -28.5037 -28.5037 -28.4417 -28.4417 -20.7782 -20.7782 -20.7676 -20.7676 -19.1135 -19.1135 -15.9416 -15.9416 -13.6445 -13.6445 -9.1563 -9.1563 -8.9490 -8.9490 -8.2196 -8.2196 -8.0571 -8.0571 -5.1390 -5.1390 -4.7923 -4.7923 -4.7472 -4.7472 -3.5455 -3.5455 -3.3736 -3.3736 -2.6908 -2.6908 -2.3608 -2.3608 -2.0241 -2.0241 -1.9145 -1.9145 -1.7552 -1.7552 -1.4688 -1.4688 -0.1949 -0.1949 0.1196 0.1196 0.9776 0.9776 3.0312 3.0312 3.6553 3.6553 3.7930 3.7930 k = 0.5917-0.1329-0.8785 ( 5278 PWs) bands (ev): -28.5036 -28.5036 -28.4419 -28.4419 -20.7796 -20.7796 -20.7660 -20.7660 -19.1140 -19.1140 -15.9414 -15.9414 -13.6446 -13.6446 -9.1638 -9.1638 -8.9333 -8.9333 -8.2273 -8.2273 -8.0506 -8.0506 -5.1534 -5.1534 -4.7671 -4.7671 -4.7423 -4.7423 -3.6017 -3.6017 -3.3732 -3.3732 -2.6719 -2.6719 -2.3407 -2.3407 -2.0213 -2.0213 -1.9177 -1.9177 -1.7468 -1.7468 -1.4692 -1.4692 -0.2443 -0.2443 0.1027 0.1027 1.0539 1.0539 3.0230 3.0230 3.6137 3.6137 3.7889 3.7889 k = 0.5847-0.1105-0.8785 ( 5282 PWs) bands (ev): -28.5035 -28.5035 -28.4420 -28.4420 -20.7808 -20.7808 -20.7646 -20.7646 -19.1144 -19.1144 -15.9412 -15.9412 -13.6448 -13.6448 -9.1709 -9.1709 -8.9178 -8.9178 -8.2350 -8.2350 -8.0444 -8.0444 -5.1667 -5.1667 -4.7447 -4.7447 -4.7338 -4.7338 -3.6580 -3.6580 -3.3728 -3.3728 -2.6575 -2.6575 -2.3167 -2.3167 -2.0183 -2.0183 -1.9210 -1.9210 -1.7376 -1.7376 -1.4700 -1.4700 -0.2936 -0.2936 0.0871 0.0871 1.1287 1.1287 3.0145 3.0145 3.5702 3.5702 3.7858 3.7858 k = 0.5776-0.0882-0.8785 ( 5282 PWs) bands (ev): -28.5035 -28.5035 -28.4422 -28.4422 -20.7820 -20.7820 -20.7633 -20.7633 -19.1148 -19.1148 -15.9411 -15.9411 -13.6449 -13.6449 -9.1774 -9.1774 -8.9025 -8.9025 -8.2427 -8.2427 -8.0386 -8.0386 -5.1791 -5.1791 -4.7374 -4.7374 -4.7092 -4.7092 -3.7143 -3.7143 -3.3724 -3.3724 -2.6470 -2.6470 -2.2899 -2.2899 -2.0151 -2.0151 -1.9243 -1.9243 -1.7273 -1.7273 -1.4711 -1.4711 -0.3424 -0.3424 0.0728 0.0728 1.2018 1.2018 3.0060 3.0060 3.5259 3.5259 3.7833 3.7833 k = 0.5706-0.0658-0.8785 ( 5290 PWs) bands (ev): -28.5034 -28.5034 -28.4423 -28.4423 -20.7831 -20.7831 -20.7621 -20.7621 -19.1152 -19.1152 -15.9409 -15.9409 -13.6450 -13.6450 -9.1834 -9.1834 -8.8878 -8.8878 -8.2503 -8.2503 -8.0331 -8.0331 -5.1904 -5.1904 -4.7338 -4.7338 -4.6800 -4.6800 -3.7704 -3.7704 -3.3720 -3.3720 -2.6398 -2.6398 -2.2615 -2.2615 -2.0118 -2.0118 -1.9277 -1.9277 -1.7159 -1.7159 -1.4726 -1.4726 -0.3904 -0.3904 0.0598 0.0598 1.2725 1.2725 2.9977 2.9977 3.4813 3.4813 3.7812 3.7812 k = 0.5635-0.0435-0.8785 ( 5284 PWs) bands (ev): -28.5033 -28.5033 -28.4425 -28.4425 -20.7841 -20.7841 -20.7610 -20.7610 -19.1155 -19.1155 -15.9408 -15.9408 -13.6452 -13.6452 -9.1889 -9.1889 -8.8736 -8.8736 -8.2577 -8.2577 -8.0281 -8.0281 -5.2006 -5.2006 -4.7309 -4.7309 -4.6490 -4.6490 -3.8260 -3.8260 -3.3716 -3.3716 -2.6350 -2.6350 -2.2326 -2.2326 -2.0082 -2.0082 -1.9311 -1.9311 -1.7031 -1.7031 -1.4747 -1.4747 -0.4370 -0.4370 0.0481 0.0481 1.3404 1.3404 2.9897 2.9897 3.4370 3.4370 3.7793 3.7793 k = 0.5564-0.0211-0.8785 ( 5284 PWs) bands (ev): -28.5033 -28.5033 -28.4426 -28.4426 -20.7850 -20.7850 -20.7600 -20.7600 -19.1158 -19.1158 -15.9407 -15.9407 -13.6453 -13.6453 -9.1938 -9.1938 -8.8602 -8.8602 -8.2648 -8.2648 -8.0235 -8.0235 -5.2098 -5.2098 -4.7284 -4.7284 -4.6165 -4.6165 -3.8809 -3.8809 -3.3713 -3.3713 -2.6319 -2.6319 -2.2045 -2.2045 -2.0045 -2.0045 -1.9346 -1.9346 -1.6890 -1.6890 -1.4775 -1.4775 -0.4819 -0.4819 0.0376 0.0376 1.4048 1.4048 2.9822 2.9822 3.3938 3.3938 3.7777 3.7777 k = 0.5494 0.0013-0.8785 ( 5284 PWs) bands (ev): -28.5032 -28.5032 -28.4427 -28.4427 -20.7858 -20.7858 -20.7591 -20.7591 -19.1161 -19.1161 -15.9406 -15.9406 -13.6454 -13.6454 -9.1982 -9.1982 -8.8478 -8.8478 -8.2716 -8.2716 -8.0193 -8.0193 -5.2180 -5.2180 -4.7263 -4.7263 -4.5827 -4.5827 -3.9349 -3.9349 -3.3710 -3.3710 -2.6301 -2.6301 -2.1780 -2.1780 -2.0007 -2.0007 -1.9382 -1.9382 -1.6735 -1.6735 -1.4810 -1.4810 -0.5242 -0.5242 0.0284 0.0284 1.4650 1.4650 2.9753 2.9753 3.3524 3.3524 3.7763 3.7763 k = 0.5423 0.0236-0.8785 ( 5298 PWs) bands (ev): -28.5032 -28.5032 -28.4428 -28.4428 -20.7865 -20.7865 -20.7583 -20.7583 -19.1164 -19.1164 -15.9405 -15.9405 -13.6454 -13.6454 -9.2020 -9.2020 -8.8366 -8.8366 -8.2777 -8.2777 -8.0157 -8.0157 -5.2250 -5.2250 -4.7245 -4.7245 -4.5475 -4.5475 -3.9879 -3.9879 -3.3707 -3.3707 -2.6291 -2.6291 -2.1540 -2.1540 -1.9969 -1.9969 -1.9419 -1.9419 -1.6566 -1.6566 -1.4856 -1.4856 -0.5634 -0.5634 0.0204 0.0204 1.5201 1.5201 2.9691 2.9691 3.3135 3.3135 3.7750 3.7750 k = 0.5353 0.0460-0.8785 ( 5306 PWs) bands (ev): -28.5031 -28.5031 -28.4429 -28.4429 -20.7871 -20.7871 -20.7577 -20.7577 -19.1166 -19.1166 -15.9405 -15.9405 -13.6455 -13.6455 -9.2052 -9.2052 -8.8267 -8.8267 -8.2833 -8.2833 -8.0125 -8.0125 -5.2310 -5.2310 -4.7230 -4.7230 -4.5111 -4.5111 -4.0396 -4.0396 -3.3705 -3.3705 -2.6287 -2.6287 -2.1330 -2.1330 -1.9931 -1.9931 -1.9455 -1.9455 -1.6387 -1.6387 -1.4913 -1.4913 -0.5987 -0.5987 0.0136 0.0136 1.5692 1.5692 2.9637 2.9637 3.2782 3.2782 3.7740 3.7740 k = 0.5282 0.0683-0.8785 ( 5312 PWs) bands (ev): -28.5031 -28.5031 -28.4429 -28.4429 -20.7876 -20.7876 -20.7571 -20.7571 -19.1168 -19.1168 -15.9404 -15.9404 -13.6456 -13.6456 -9.2079 -9.2079 -8.8183 -8.8183 -8.2880 -8.2880 -8.0099 -8.0099 -5.2359 -5.2359 -4.7219 -4.7219 -4.4737 -4.4737 -4.0896 -4.0896 -3.3704 -3.3704 -2.6285 -2.6285 -2.1156 -2.1156 -1.9893 -1.9893 -1.9490 -1.9490 -1.6201 -1.6201 -1.4985 -1.4985 -0.6292 -0.6292 0.0081 0.0081 1.6113 1.6113 2.9592 2.9592 3.2473 3.2473 3.7731 3.7731 k = 0.5212 0.0907-0.8785 ( 5300 PWs) bands (ev): -28.5031 -28.5031 -28.4430 -28.4430 -20.7880 -20.7880 -20.7567 -20.7567 -19.1170 -19.1170 -15.9403 -15.9403 -13.6456 -13.6456 -9.2099 -9.2099 -8.8115 -8.8115 -8.2919 -8.2919 -8.0079 -8.0079 -5.2397 -5.2397 -4.7209 -4.7209 -4.4358 -4.4358 -4.1374 -4.1374 -3.3702 -3.3702 -2.6286 -2.6286 -2.1018 -2.1018 -1.9858 -1.9858 -1.9524 -1.9524 -1.6013 -1.6013 -1.5071 -1.5071 -0.6542 -0.6542 0.0038 0.0038 1.6455 1.6455 2.9557 2.9557 3.2219 3.2219 3.7724 3.7724 k = 0.5141 0.1131-0.8785 ( 5304 PWs) bands (ev): -28.5030 -28.5030 -28.4430 -28.4430 -20.7882 -20.7882 -20.7564 -20.7564 -19.1171 -19.1171 -15.9403 -15.9403 -13.6456 -13.6456 -9.2114 -9.2114 -8.8066 -8.8066 -8.2947 -8.2947 -8.0064 -8.0064 -5.2425 -5.2425 -4.7203 -4.7203 -4.3987 -4.3987 -4.1816 -4.1816 -3.3701 -3.3701 -2.6287 -2.6287 -2.0920 -2.0920 -1.9827 -1.9827 -1.9553 -1.9553 -1.5831 -1.5831 -1.5173 -1.5173 -0.6727 -0.6727 0.0008 0.0008 1.6708 1.6708 2.9531 2.9531 3.2029 3.2029 3.7719 3.7719 k = 0.5071 0.1354-0.8785 ( 5306 PWs) bands (ev): -28.5030 -28.5030 -28.4430 -28.4430 -20.7884 -20.7884 -20.7562 -20.7562 -19.1171 -19.1171 -15.9403 -15.9403 -13.6457 -13.6457 -9.2123 -9.2123 -8.8036 -8.8036 -8.2965 -8.2965 -8.0056 -8.0056 -5.2441 -5.2441 -4.7199 -4.7199 -4.3663 -4.3663 -4.2183 -4.2183 -3.3701 -3.3701 -2.6288 -2.6288 -2.0861 -2.0861 -1.9805 -1.9805 -1.9574 -1.9574 -1.5669 -1.5669 -1.5285 -1.5285 -0.6841 -0.6841 -0.0011 -0.0011 1.6863 1.6863 2.9515 2.9515 3.1912 3.1912 3.7716 3.7716 k = 0.5000 0.1578-0.8785 ( 5308 PWs) bands (ev): -28.5030 -28.5030 -28.4430 -28.4430 -20.7884 -20.7884 -20.7561 -20.7561 -19.1172 -19.1172 -15.9403 -15.9403 -13.6457 -13.6457 -9.2126 -9.2126 -8.8026 -8.8026 -8.2970 -8.2970 -8.0053 -8.0053 -5.2446 -5.2446 -4.7198 -4.7198 -4.3511 -4.3511 -4.2350 -4.2350 -3.3701 -3.3701 -2.6288 -2.6288 -2.0842 -2.0842 -1.9796 -1.9796 -1.9583 -1.9583 -1.5581 -1.5581 -1.5356 -1.5356 -0.6880 -0.6880 -0.0017 -0.0017 1.6915 1.6915 2.9510 2.9510 3.1872 3.1872 3.7715 3.7715 k = 0.5000 0.1578-0.8785 ( 5308 PWs) bands (ev): -28.5030 -28.5030 -28.4430 -28.4430 -20.7884 -20.7884 -20.7561 -20.7561 -19.1172 -19.1172 -15.9403 -15.9403 -13.6457 -13.6457 -9.2126 -9.2126 -8.8026 -8.8026 -8.2970 -8.2970 -8.0053 -8.0053 -5.2446 -5.2446 -4.7198 -4.7198 -4.3511 -4.3511 -4.2350 -4.2350 -3.3701 -3.3701 -2.6288 -2.6288 -2.0842 -2.0842 -1.9796 -1.9796 -1.9583 -1.9583 -1.5581 -1.5581 -1.5356 -1.5356 -0.6880 -0.6880 -0.0017 -0.0017 1.6915 1.6915 2.9510 2.9510 3.1872 3.1872 3.7715 3.7715 k = 0.5194 0.1639-0.8663 ( 5302 PWs) bands (ev): -28.5030 -28.5030 -28.4430 -28.4430 -20.7886 -20.7886 -20.7560 -20.7560 -19.1171 -19.1171 -15.9403 -15.9403 -13.6456 -13.6456 -9.2126 -9.2126 -8.8025 -8.8025 -8.2968 -8.2968 -8.0055 -8.0055 -5.2446 -5.2446 -4.7209 -4.7209 -4.3506 -4.3506 -4.2347 -4.2347 -3.3695 -3.3695 -2.6293 -2.6293 -2.0874 -2.0874 -1.9761 -1.9761 -1.9582 -1.9582 -1.5579 -1.5579 -1.5356 -1.5356 -0.6880 -0.6880 -0.0020 -0.0020 1.6912 1.6912 2.9505 2.9505 3.1872 3.1872 3.7730 3.7730 k = 0.5388 0.1700-0.8542 ( 5300 PWs) bands (ev): -28.5031 -28.5031 -28.4430 -28.4430 -20.7890 -20.7890 -20.7557 -20.7557 -19.1171 -19.1171 -15.9404 -15.9404 -13.6456 -13.6456 -9.2125 -9.2125 -8.8021 -8.8021 -8.2962 -8.2962 -8.0061 -8.0061 -5.2443 -5.2443 -4.7243 -4.7243 -4.3490 -4.3490 -4.2338 -4.2338 -3.3680 -3.3680 -2.6308 -2.6308 -2.0960 -2.0960 -1.9676 -1.9676 -1.9572 -1.9572 -1.5576 -1.5576 -1.5355 -1.5355 -0.6882 -0.6882 -0.0029 -0.0029 1.6901 1.6901 2.9488 2.9488 3.1871 3.1871 3.7773 3.7773 k = 0.5582 0.1761-0.8420 ( 5293 PWs) bands (ev): -28.5031 -28.5031 -28.4429 -28.4429 -20.7896 -20.7896 -20.7551 -20.7551 -19.1170 -19.1170 -15.9405 -15.9405 -13.6455 -13.6455 -9.2125 -9.2125 -8.8014 -8.8014 -8.2952 -8.2952 -8.0071 -8.0071 -5.2440 -5.2440 -4.7298 -4.7298 -4.3465 -4.3465 -4.2323 -4.2323 -3.3656 -3.3656 -2.6333 -2.6333 -2.1076 -2.1076 -1.9628 -1.9628 -1.9488 -1.9488 -1.5570 -1.5570 -1.5355 -1.5355 -0.6884 -0.6884 -0.0045 -0.0045 1.6883 1.6883 2.9462 2.9462 3.1869 3.1869 3.7844 3.7844 k = 0.5776 0.1823-0.8299 ( 5293 PWs) bands (ev): -28.5032 -28.5032 -28.4429 -28.4429 -20.7904 -20.7904 -20.7543 -20.7543 -19.1169 -19.1169 -15.9407 -15.9407 -13.6455 -13.6455 -9.2124 -9.2124 -8.8005 -8.8005 -8.2937 -8.2937 -8.0084 -8.0084 -5.2434 -5.2434 -4.7372 -4.7372 -4.3430 -4.3430 -4.2303 -4.2303 -3.3624 -3.3624 -2.6368 -2.6368 -2.1202 -2.1202 -1.9631 -1.9631 -1.9337 -1.9337 -1.5561 -1.5561 -1.5355 -1.5355 -0.6888 -0.6888 -0.0066 -0.0066 1.6857 1.6857 2.9426 2.9426 3.1867 3.1867 3.7939 3.7939 k = 0.5970 0.1884-0.8177 ( 5297 PWs) bands (ev): -28.5034 -28.5034 -28.4428 -28.4428 -20.7915 -20.7915 -20.7533 -20.7533 -19.1168 -19.1168 -15.9409 -15.9409 -13.6453 -13.6453 -9.2123 -9.2123 -8.7993 -8.7993 -8.2919 -8.2919 -8.0101 -8.0101 -5.2428 -5.2428 -4.7464 -4.7464 -4.3388 -4.3388 -4.2277 -4.2277 -3.3586 -3.3586 -2.6413 -2.6413 -2.1328 -2.1328 -1.9644 -1.9644 -1.9169 -1.9169 -1.5551 -1.5551 -1.5354 -1.5354 -0.6892 -0.6892 -0.0092 -0.0092 1.6825 1.6825 2.9382 2.9382 3.1864 3.1864 3.8058 3.8058 k = 0.6164 0.1945-0.8056 ( 5303 PWs) bands (ev): -28.5035 -28.5035 -28.4426 -28.4426 -20.7927 -20.7927 -20.7522 -20.7522 -19.1166 -19.1166 -15.9412 -15.9412 -13.6452 -13.6452 -9.2121 -9.2121 -8.7979 -8.7979 -8.2898 -8.2898 -8.0122 -8.0122 -5.2420 -5.2420 -4.7572 -4.7572 -4.3338 -4.3338 -4.2247 -4.2247 -3.3544 -3.3544 -2.6466 -2.6466 -2.1445 -2.1445 -1.9663 -1.9663 -1.8997 -1.8997 -1.5539 -1.5539 -1.5353 -1.5353 -0.6897 -0.6897 -0.0123 -0.0123 1.6786 1.6786 2.9332 2.9332 3.1860 3.1860 3.8197 3.8197 k = 0.6358 0.2006-0.7934 ( 5312 PWs) bands (ev): -28.5037 -28.5037 -28.4425 -28.4425 -20.7940 -20.7940 -20.7510 -20.7510 -19.1164 -19.1164 -15.9415 -15.9415 -13.6451 -13.6451 -9.2119 -9.2119 -8.7963 -8.7963 -8.2873 -8.2873 -8.0145 -8.0145 -5.2412 -5.2412 -4.7692 -4.7692 -4.3282 -4.3282 -4.2212 -4.2212 -3.3501 -3.3501 -2.6529 -2.6529 -2.1550 -2.1550 -1.9685 -1.9685 -1.8826 -1.8826 -1.5525 -1.5525 -1.5351 -1.5351 -0.6901 -0.6901 -0.0158 -0.0158 1.6741 1.6741 2.9277 2.9277 3.1856 3.1856 3.8352 3.8352 k = 0.6552 0.2068-0.7813 ( 5302 PWs) bands (ev): -28.5038 -28.5038 -28.4423 -28.4423 -20.7955 -20.7955 -20.7496 -20.7496 -19.1161 -19.1161 -15.9418 -15.9418 -13.6449 -13.6449 -9.2116 -9.2116 -8.7945 -8.7945 -8.2846 -8.2846 -8.0171 -8.0171 -5.2402 -5.2402 -4.7823 -4.7823 -4.3220 -4.3220 -4.2173 -4.2173 -3.3458 -3.3458 -2.6599 -2.6599 -2.1639 -2.1639 -1.9710 -1.9710 -1.8660 -1.8660 -1.5511 -1.5511 -1.5347 -1.5347 -0.6906 -0.6906 -0.0196 -0.0196 1.6689 1.6689 2.9219 2.9219 3.1851 3.1851 3.8521 3.8521 k = 0.6552 0.2068-0.7813 ( 5302 PWs) bands (ev): -28.5038 -28.5038 -28.4423 -28.4423 -20.7955 -20.7955 -20.7496 -20.7496 -19.1161 -19.1161 -15.9418 -15.9418 -13.6449 -13.6449 -9.2116 -9.2116 -8.7945 -8.7945 -8.2846 -8.2846 -8.0171 -8.0171 -5.2402 -5.2402 -4.7823 -4.7823 -4.3220 -4.3220 -4.2173 -4.2173 -3.3458 -3.3458 -2.6599 -2.6599 -2.1639 -2.1639 -1.9710 -1.9710 -1.8660 -1.8660 -1.5511 -1.5511 -1.5347 -1.5347 -0.6906 -0.6906 -0.0196 -0.0196 1.6689 1.6689 2.9219 2.9219 3.1851 3.1851 3.8521 3.8521 k = 0.6510 0.2054-0.7576 ( 5299 PWs) bands (ev): -28.5036 -28.5036 -28.4426 -28.4426 -20.7953 -20.7953 -20.7496 -20.7496 -19.1168 -19.1168 -15.9415 -15.9415 -13.6452 -13.6452 -9.2077 -9.2077 -8.7940 -8.7940 -8.2812 -8.2812 -8.0165 -8.0165 -5.2411 -5.2411 -4.8006 -4.8006 -4.3037 -4.3037 -4.2172 -4.2172 -3.3414 -3.3414 -2.6799 -2.6799 -2.1579 -2.1579 -1.9691 -1.9691 -1.8767 -1.8767 -1.5551 -1.5551 -1.5359 -1.5359 -0.6917 -0.6917 0.0016 0.0016 1.6644 1.6644 2.9333 2.9333 3.1833 3.1833 3.8429 3.8429 k = 0.6468 0.2041-0.7338 ( 5297 PWs) bands (ev): -28.5034 -28.5034 -28.4430 -28.4430 -20.7956 -20.7956 -20.7491 -20.7491 -19.1175 -19.1175 -15.9411 -15.9411 -13.6455 -13.6455 -9.2024 -9.2024 -8.7933 -8.7933 -8.2769 -8.2769 -8.0157 -8.0157 -5.2424 -5.2424 -4.8215 -4.8215 -4.2830 -4.2830 -4.2169 -4.2169 -3.3379 -3.3379 -2.7001 -2.7001 -2.1546 -2.1546 -1.9672 -1.9672 -1.8867 -1.8867 -1.5617 -1.5617 -1.5373 -1.5373 -0.6927 -0.6927 0.0276 0.0276 1.6595 1.6595 2.9438 2.9438 3.1809 3.1809 3.8345 3.8345 k = 0.6426 0.2028-0.7101 ( 5294 PWs) bands (ev): -28.5032 -28.5032 -28.4433 -28.4433 -20.7962 -20.7962 -20.7481 -20.7481 -19.1183 -19.1183 -15.9408 -15.9408 -13.6458 -13.6458 -9.1959 -9.1959 -8.7924 -8.7924 -8.2718 -8.2718 -8.0148 -8.0148 -5.2442 -5.2442 -4.8442 -4.8442 -4.2606 -4.2606 -4.2163 -4.2163 -3.3354 -3.3354 -2.7202 -2.7202 -2.1543 -2.1543 -1.9653 -1.9653 -1.8956 -1.8956 -1.5702 -1.5702 -1.5389 -1.5389 -0.6936 -0.6936 0.0572 0.0572 1.6547 1.6547 2.9533 2.9533 3.1779 3.1779 3.8269 3.8269 k = 0.6384 0.2015-0.6863 ( 5297 PWs) bands (ev): -28.5030 -28.5030 -28.4436 -28.4436 -20.7972 -20.7972 -20.7469 -20.7469 -19.1192 -19.1192 -15.9405 -15.9405 -13.6461 -13.6461 -9.1882 -9.1882 -8.7914 -8.7914 -8.2660 -8.2660 -8.0138 -8.0138 -5.2465 -5.2465 -4.8681 -4.8681 -4.2373 -4.2373 -4.2153 -4.2153 -3.3344 -3.3344 -2.7401 -2.7401 -2.1569 -2.1569 -1.9634 -1.9634 -1.9030 -1.9030 -1.5799 -1.5799 -1.5408 -1.5408 -0.6944 -0.6944 0.0889 0.0889 1.6508 1.6508 2.9619 2.9619 3.1744 3.1744 3.8202 3.8202 k = 0.6342 0.2001-0.6626 ( 5292 PWs) bands (ev): -28.5028 -28.5028 -28.4440 -28.4440 -20.7985 -20.7985 -20.7453 -20.7453 -19.1201 -19.1201 -15.9402 -15.9402 -13.6464 -13.6464 -9.1792 -9.1792 -8.7901 -8.7901 -8.2594 -8.2594 -8.0127 -8.0127 -5.2493 -5.2493 -4.8928 -4.8928 -4.2167 -4.2167 -4.2110 -4.2110 -3.3350 -3.3350 -2.7598 -2.7598 -2.1623 -2.1623 -1.9614 -1.9614 -1.9085 -1.9085 -1.5901 -1.5901 -1.5428 -1.5428 -0.6950 -0.6950 0.1213 0.1213 1.6484 1.6484 2.9696 2.9696 3.1704 3.1704 3.8142 3.8142 k = 0.6301 0.1988-0.6389 ( 5304 PWs) bands (ev): -28.5027 -28.5027 -28.4443 -28.4443 -20.8000 -20.8000 -20.7435 -20.7435 -19.1211 -19.1211 -15.9400 -15.9400 -13.6467 -13.6467 -9.1691 -9.1691 -8.7887 -8.7887 -8.2521 -8.2521 -8.0115 -8.0115 -5.2526 -5.2526 -4.9179 -4.9179 -4.2137 -4.2137 -4.1887 -4.1887 -3.3378 -3.3378 -2.7792 -2.7792 -2.1700 -2.1700 -1.9594 -1.9594 -1.9121 -1.9121 -1.6002 -1.6002 -1.5450 -1.5450 -0.6955 -0.6955 0.1528 0.1528 1.6483 1.6483 2.9766 2.9766 3.1661 3.1661 3.8089 3.8089 k = 0.6259 0.1975-0.6151 ( 5303 PWs) bands (ev): -28.5026 -28.5026 -28.4447 -28.4447 -20.8017 -20.8017 -20.7414 -20.7414 -19.1222 -19.1222 -15.9398 -15.9398 -13.6470 -13.6470 -9.1579 -9.1579 -8.7871 -8.7871 -8.2441 -8.2441 -8.0103 -8.0103 -5.2562 -5.2562 -4.9432 -4.9432 -4.2121 -4.2121 -4.1651 -4.1651 -3.3429 -3.3429 -2.7979 -2.7979 -2.1793 -2.1793 -1.9574 -1.9574 -1.9138 -1.9138 -1.6096 -1.6096 -1.5475 -1.5475 -0.6959 -0.6959 0.1819 0.1819 1.6517 1.6517 2.9829 2.9829 3.1613 3.1613 3.8042 3.8042 k = 0.6217 0.1962-0.5914 ( 5299 PWs) bands (ev): -28.5024 -28.5024 -28.4450 -28.4450 -20.8036 -20.8036 -20.7393 -20.7393 -19.1233 -19.1233 -15.9397 -15.9397 -13.6473 -13.6473 -9.1456 -9.1456 -8.7853 -8.7853 -8.2354 -8.2354 -8.0089 -8.0089 -5.2603 -5.2603 -4.9686 -4.9686 -4.2104 -4.2104 -4.1418 -4.1418 -3.3509 -3.3509 -2.8160 -2.8160 -2.1892 -2.1892 -1.9553 -1.9553 -1.9139 -1.9139 -1.6182 -1.6182 -1.5502 -1.5502 -0.6961 -0.6961 0.2072 0.2072 1.6592 1.6592 2.9888 2.9888 3.1564 3.1564 3.7999 3.7999 k = 0.6175 0.1948-0.5676 ( 5293 PWs) bands (ev): -28.5023 -28.5023 -28.4454 -28.4454 -20.8055 -20.8055 -20.7370 -20.7370 -19.1244 -19.1244 -15.9395 -15.9395 -13.6475 -13.6475 -9.1323 -9.1323 -8.7834 -8.7834 -8.2262 -8.2262 -8.0074 -8.0074 -5.2648 -5.2648 -4.9937 -4.9937 -4.2085 -4.2085 -4.1192 -4.1192 -3.3619 -3.3619 -2.8333 -2.8333 -2.1989 -2.1989 -1.9531 -1.9531 -1.9126 -1.9126 -1.6256 -1.6256 -1.5532 -1.5532 -0.6963 -0.6963 0.2273 0.2273 1.6719 1.6719 2.9944 2.9944 3.1512 3.1512 3.7960 3.7960 k = 0.6133 0.1935-0.5439 ( 5287 PWs) bands (ev): -28.5022 -28.5022 -28.4457 -28.4457 -20.8075 -20.8075 -20.7347 -20.7347 -19.1256 -19.1256 -15.9394 -15.9394 -13.6478 -13.6478 -9.1180 -9.1180 -8.7814 -8.7814 -8.2164 -8.2164 -8.0059 -8.0059 -5.2697 -5.2697 -5.0186 -5.0186 -4.2065 -4.2065 -4.0976 -4.0976 -3.3765 -3.3765 -2.8495 -2.8495 -2.2073 -2.2073 -1.9510 -1.9510 -1.9104 -1.9104 -1.6318 -1.6318 -1.5563 -1.5563 -0.6963 -0.6963 0.2412 0.2412 1.6906 1.6906 3.0000 3.0000 3.1459 3.1459 3.7922 3.7922 k = 0.6091 0.1922-0.5201 ( 5290 PWs) bands (ev): -28.5021 -28.5021 -28.4461 -28.4461 -20.8095 -20.8095 -20.7323 -20.7323 -19.1268 -19.1268 -15.9393 -15.9393 -13.6481 -13.6481 -9.1029 -9.1029 -8.7792 -8.7792 -8.2061 -8.2061 -8.0043 -8.0043 -5.2750 -5.2750 -5.0432 -5.0432 -4.2043 -4.2043 -4.0770 -4.0770 -3.3946 -3.3946 -2.8645 -2.8645 -2.2138 -2.2138 -1.9488 -1.9488 -1.9075 -1.9075 -1.6367 -1.6367 -1.5597 -1.5597 -0.6963 -0.6963 0.2481 0.2481 1.7156 1.7156 3.0055 3.0055 3.1406 3.1406 3.7885 3.7885 k = 0.6049 0.1909-0.4964 ( 5291 PWs) bands (ev): -28.5020 -28.5020 -28.4465 -28.4465 -20.8116 -20.8116 -20.7299 -20.7299 -19.1280 -19.1280 -15.9392 -15.9392 -13.6483 -13.6483 -9.0869 -9.0869 -8.7770 -8.7770 -8.1954 -8.1954 -8.0027 -8.0027 -5.2806 -5.2806 -5.0673 -5.0673 -4.2020 -4.2020 -4.0575 -4.0575 -3.4163 -3.4163 -2.8783 -2.8783 -2.2175 -2.2175 -1.9465 -1.9465 -1.9042 -1.9042 -1.6401 -1.6401 -1.5633 -1.5633 -0.6961 -0.6961 0.2476 0.2476 1.7472 1.7472 3.0112 3.0112 3.1353 3.1353 3.7846 3.7846 k = 0.6007 0.1896-0.4727 ( 5291 PWs) bands (ev): -28.5020 -28.5020 -28.4468 -28.4468 -20.8136 -20.8136 -20.7275 -20.7275 -19.1292 -19.1292 -15.9391 -15.9391 -13.6486 -13.6486 -9.0702 -9.0702 -8.7747 -8.7747 -8.1843 -8.1843 -8.0010 -8.0010 -5.2865 -5.2865 -5.0908 -5.0908 -4.1996 -4.1996 -4.0393 -4.0393 -3.4415 -3.4415 -2.8908 -2.8908 -2.2182 -2.2182 -1.9443 -1.9443 -1.9008 -1.9008 -1.6423 -1.6423 -1.5670 -1.5670 -0.6959 -0.6959 0.2395 0.2395 1.7855 1.7855 3.0171 3.0171 3.1302 3.1302 3.7805 3.7805 k = 0.5965 0.1882-0.4489 ( 5287 PWs) bands (ev): -28.5019 -28.5019 -28.4472 -28.4472 -20.8156 -20.8156 -20.7252 -20.7252 -19.1305 -19.1305 -15.9391 -15.9391 -13.6488 -13.6488 -9.0529 -9.0529 -8.7723 -8.7723 -8.1728 -8.1728 -7.9993 -7.9993 -5.2928 -5.2928 -5.1138 -5.1138 -4.1970 -4.1970 -4.0225 -4.0225 -3.4700 -3.4700 -2.9020 -2.9020 -2.2154 -2.2154 -1.9420 -1.9420 -1.8973 -1.8973 -1.6431 -1.6431 -1.5708 -1.5708 -0.6956 -0.6956 0.2240 0.2240 1.8302 1.8302 3.0234 3.0234 3.1253 3.1253 3.7761 3.7761 k = 0.5923 0.1869-0.4252 ( 5288 PWs) bands (ev): -28.5018 -28.5018 -28.4476 -28.4476 -20.8176 -20.8176 -20.7228 -20.7228 -19.1318 -19.1318 -15.9391 -15.9391 -13.6490 -13.6490 -9.0350 -9.0350 -8.7698 -8.7698 -8.1611 -8.1611 -7.9975 -7.9975 -5.2993 -5.2993 -5.1362 -5.1362 -4.1944 -4.1944 -4.0071 -4.0071 -3.5013 -3.5013 -2.9120 -2.9120 -2.2090 -2.2090 -1.9397 -1.9397 -1.8938 -1.8938 -1.6428 -1.6428 -1.5748 -1.5748 -0.6953 -0.6953 0.2017 0.2017 1.8806 1.8806 3.0300 3.0300 3.1207 3.1207 3.7711 3.7711 k = 0.5881 0.1856-0.4014 ( 5300 PWs) bands (ev): -28.5018 -28.5018 -28.4479 -28.4479 -20.8196 -20.8196 -20.7205 -20.7205 -19.1331 -19.1331 -15.9391 -15.9391 -13.6493 -13.6493 -9.0166 -9.0166 -8.7673 -8.7673 -8.1493 -8.1493 -7.9957 -7.9957 -5.3061 -5.3061 -5.1579 -5.1579 -4.1917 -4.1917 -3.9933 -3.9933 -3.5350 -3.5350 -2.9208 -2.9208 -2.1990 -2.1990 -1.9374 -1.9374 -1.8906 -1.8906 -1.6414 -1.6414 -1.5788 -1.5788 -0.6949 -0.6949 0.1731 0.1731 1.9361 1.9361 3.0371 3.0371 3.1166 3.1166 3.7656 3.7656 k = 0.5839 0.1843-0.3777 ( 5299 PWs) bands (ev): -28.5018 -28.5018 -28.4483 -28.4483 -20.8215 -20.8215 -20.7183 -20.7183 -19.1343 -19.1343 -15.9391 -15.9391 -13.6495 -13.6495 -8.9979 -8.9979 -8.7647 -8.7647 -8.1373 -8.1373 -7.9939 -7.9939 -5.3131 -5.3131 -5.1788 -5.1788 -4.1889 -4.1889 -3.9810 -3.9810 -3.5704 -3.5704 -2.9285 -2.9285 -2.1856 -2.1856 -1.9350 -1.9350 -1.8875 -1.8875 -1.6390 -1.6390 -1.5827 -1.5827 -0.6944 -0.6944 0.1390 0.1390 1.9961 1.9961 3.0445 3.0445 3.1129 3.1129 3.7594 3.7594 k = 0.5797 0.1829-0.3539 ( 5295 PWs) bands (ev): -28.5017 -28.5017 -28.4486 -28.4486 -20.8233 -20.8233 -20.7161 -20.7161 -19.1356 -19.1356 -15.9391 -15.9391 -13.6497 -13.6497 -8.9790 -8.9790 -8.7621 -8.7621 -8.1252 -8.1252 -7.9920 -7.9920 -5.3203 -5.3203 -5.1990 -5.1990 -4.1861 -4.1861 -3.9705 -3.9705 -3.6069 -3.6069 -2.9353 -2.9353 -2.1688 -2.1688 -1.9327 -1.9327 -1.8846 -1.8846 -1.6359 -1.6359 -1.5866 -1.5866 -0.6940 -0.6940 0.1001 0.1001 2.0597 2.0597 3.0524 3.0524 3.1098 3.1098 3.7524 3.7524 k = 0.5755 0.1816-0.3302 ( 5292 PWs) bands (ev): -28.5017 -28.5017 -28.4490 -28.4490 -20.8251 -20.8251 -20.7140 -20.7140 -19.1368 -19.1368 -15.9391 -15.9391 -13.6499 -13.6499 -8.9599 -8.9599 -8.7596 -8.7596 -8.1132 -8.1132 -7.9902 -7.9902 -5.3277 -5.3277 -5.2184 -5.2184 -4.1833 -4.1833 -3.9619 -3.9619 -3.6437 -3.6437 -2.9413 -2.9413 -2.1489 -2.1489 -1.9303 -1.9303 -1.8818 -1.8818 -1.6324 -1.6324 -1.5901 -1.5901 -0.6935 -0.6935 0.0572 0.0572 2.1263 2.1263 3.0607 3.0607 3.1074 3.1074 3.7446 3.7446 k = 0.5713 0.1803-0.3065 ( 5284 PWs) bands (ev): -28.5017 -28.5017 -28.4493 -28.4493 -20.8268 -20.8268 -20.7120 -20.7120 -19.1381 -19.1381 -15.9391 -15.9391 -13.6501 -13.6501 -8.9407 -8.9407 -8.7570 -8.7570 -8.1013 -8.1013 -7.9883 -7.9883 -5.3352 -5.3352 -5.2370 -5.2370 -4.1806 -4.1806 -3.9554 -3.9554 -3.6801 -3.6801 -2.9465 -2.9465 -2.1263 -2.1263 -1.9279 -1.9279 -1.8793 -1.8793 -1.6288 -1.6288 -1.5930 -1.5930 -0.6930 -0.6930 0.0109 0.0109 2.1952 2.1952 3.0693 3.0693 3.1057 3.1057 3.7357 3.7357 k = 0.5671 0.1790-0.2827 ( 5288 PWs) bands (ev): -28.5017 -28.5017 -28.4496 -28.4496 -20.8285 -20.8285 -20.7100 -20.7100 -19.1392 -19.1392 -15.9392 -15.9392 -13.6503 -13.6503 -8.9217 -8.9217 -8.7545 -8.7545 -8.0897 -8.0897 -7.9865 -7.9865 -5.3428 -5.3428 -5.2547 -5.2547 -4.1778 -4.1778 -3.9514 -3.9514 -3.7151 -3.7151 -2.9510 -2.9510 -2.1012 -2.1012 -1.9255 -1.9255 -1.8767 -1.8767 -1.6259 -1.6259 -1.5947 -1.5947 -0.6925 -0.6925 -0.0380 -0.0380 2.2656 2.2656 3.0781 3.0781 3.1048 3.1048 3.7258 3.7258 k = 0.5629 0.1776-0.2590 ( 5293 PWs) bands (ev): -28.5017 -28.5017 -28.4499 -28.4499 -20.8300 -20.8300 -20.7082 -20.7082 -19.1404 -19.1404 -15.9392 -15.9392 -13.6504 -13.6504 -8.9030 -8.9030 -8.7520 -8.7520 -8.0783 -8.0783 -7.9846 -7.9846 -5.3504 -5.3504 -5.2714 -5.2714 -4.1751 -4.1751 -3.9505 -3.9505 -3.7477 -3.7477 -2.9550 -2.9550 -2.0742 -2.0742 -1.9230 -1.9230 -1.8742 -1.8742 -1.6244 -1.6244 -1.5945 -1.5945 -0.6920 -0.6920 -0.0890 -0.0890 2.3372 2.3372 3.0870 3.0870 3.1048 3.1048 3.7147 3.7147 k = 0.5587 0.1763-0.2352 ( 5297 PWs) bands (ev): -28.5017 -28.5017 -28.4502 -28.4502 -20.8315 -20.8315 -20.7064 -20.7064 -19.1415 -19.1415 -15.9393 -15.9393 -13.6506 -13.6506 -8.8846 -8.8846 -8.7495 -8.7495 -8.0672 -8.0672 -7.9827 -7.9827 -5.3580 -5.3580 -5.2872 -5.2872 -4.1725 -4.1725 -3.9535 -3.9535 -3.7764 -3.7764 -2.9584 -2.9584 -2.0456 -2.0456 -1.9205 -1.9205 -1.8715 -1.8715 -1.6248 -1.6248 -1.5921 -1.5921 -0.6915 -0.6915 -0.1415 -0.1415 2.4092 2.4092 3.0960 3.0960 3.1059 3.1059 3.7023 3.7023 k = 0.5545 0.1750-0.2115 ( 5296 PWs) bands (ev): -28.5017 -28.5017 -28.4505 -28.4505 -20.8329 -20.8329 -20.7048 -20.7048 -19.1426 -19.1426 -15.9394 -15.9394 -13.6507 -13.6507 -8.8667 -8.8667 -8.7471 -8.7471 -8.0567 -8.0567 -7.9808 -7.9808 -5.3656 -5.3656 -5.3021 -5.3021 -4.1700 -4.1700 -3.9613 -3.9613 -3.8000 -3.8000 -2.9613 -2.9613 -2.0162 -2.0162 -1.9177 -1.9177 -1.8683 -1.8683 -1.6267 -1.6267 -1.5878 -1.5878 -0.6911 -0.6911 -0.1948 -0.1948 2.4813 2.4813 3.1040 3.1040 3.1087 3.1087 3.6819 3.6819 k = 0.5503 0.1737-0.1878 ( 5292 PWs) bands (ev): -28.5017 -28.5017 -28.4507 -28.4507 -20.8342 -20.8342 -20.7032 -20.7032 -19.1436 -19.1436 -15.9394 -15.9394 -13.6509 -13.6509 -8.8495 -8.8495 -8.7448 -8.7448 -8.0466 -8.0466 -7.9789 -7.9789 -5.3730 -5.3730 -5.3159 -5.3159 -4.1676 -4.1676 -3.9744 -3.9744 -3.8177 -3.8177 -2.9638 -2.9638 -1.9871 -1.9871 -1.9145 -1.9145 -1.8641 -1.8641 -1.6295 -1.6295 -1.5825 -1.5825 -0.6906 -0.6906 -0.2485 -0.2485 2.5530 2.5530 3.1089 3.1089 3.1157 3.1157 3.6516 3.6516 k = 0.5461 0.1723-0.1640 ( 5289 PWs) bands (ev): -28.5017 -28.5017 -28.4510 -28.4510 -20.8354 -20.8354 -20.7018 -20.7018 -19.1445 -19.1445 -15.9395 -15.9395 -13.6510 -13.6510 -8.8332 -8.8332 -8.7425 -8.7425 -8.0373 -8.0373 -7.9769 -7.9769 -5.3802 -5.3802 -5.3287 -5.3287 -4.1653 -4.1653 -3.9919 -3.9919 -3.8297 -3.8297 -2.9659 -2.9659 -1.9603 -1.9603 -1.9102 -1.9102 -1.8580 -1.8580 -1.6327 -1.6327 -1.5767 -1.5767 -0.6902 -0.6902 -0.3021 -0.3021 2.6239 2.6239 3.1129 3.1129 3.1242 3.1242 3.6218 3.6218 k = 0.5420 0.1710-0.1403 ( 5285 PWs) bands (ev): -28.5017 -28.5017 -28.4512 -28.4512 -20.8365 -20.8365 -20.7005 -20.7005 -19.1454 -19.1454 -15.9395 -15.9395 -13.6511 -13.6511 -8.8177 -8.8177 -8.7402 -8.7402 -8.0287 -8.0287 -7.9749 -7.9749 -5.3872 -5.3872 -5.3405 -5.3405 -4.1633 -4.1633 -4.0124 -4.0124 -3.8373 -3.8373 -2.9676 -2.9676 -1.9394 -1.9394 -1.9038 -1.9038 -1.8479 -1.8479 -1.6360 -1.6360 -1.5707 -1.5707 -0.6899 -0.6899 -0.3549 -0.3549 2.6935 2.6935 3.1175 3.1175 3.1328 3.1328 3.5928 3.5928 k = 0.5378 0.1697-0.1165 ( 5285 PWs) bands (ev): -28.5017 -28.5017 -28.4514 -28.4514 -20.8375 -20.8375 -20.6992 -20.6992 -19.1462 -19.1462 -15.9396 -15.9396 -13.6512 -13.6512 -8.8035 -8.8035 -8.7380 -8.7380 -8.0209 -8.0209 -7.9728 -7.9728 -5.3938 -5.3938 -5.3512 -5.3512 -4.1614 -4.1614 -4.0341 -4.0341 -3.8419 -3.8419 -2.9691 -2.9691 -1.9271 -1.9271 -1.8952 -1.8952 -1.8314 -1.8314 -1.6393 -1.6393 -1.5648 -1.5648 -0.6895 -0.6895 -0.4064 -0.4064 2.7615 2.7615 3.1230 3.1230 3.1410 3.1410 3.5648 3.5648 k = 0.5336 0.1684-0.0928 ( 5280 PWs) bands (ev): -28.5017 -28.5017 -28.4516 -28.4516 -20.8384 -20.8384 -20.6981 -20.6981 -19.1469 -19.1469 -15.9396 -15.9396 -13.6513 -13.6513 -8.7905 -8.7905 -8.7358 -8.7358 -8.0140 -8.0140 -7.9707 -7.9707 -5.3999 -5.3999 -5.3609 -5.3609 -4.1598 -4.1598 -4.0554 -4.0554 -3.8446 -3.8446 -2.9703 -2.9703 -1.9210 -1.9210 -1.8878 -1.8878 -1.8084 -1.8084 -1.6423 -1.6423 -1.5590 -1.5590 -0.6893 -0.6893 -0.4560 -0.4560 2.8276 2.8276 3.1292 3.1292 3.1487 3.1487 3.5380 3.5380 k = 0.5294 0.1670-0.0690 ( 5275 PWs) bands (ev): -28.5017 -28.5017 -28.4518 -28.4518 -20.8392 -20.8392 -20.6972 -20.6972 -19.1476 -19.1476 -15.9397 -15.9397 -13.6513 -13.6513 -8.7790 -8.7790 -8.7336 -8.7336 -8.0081 -8.0081 -7.9684 -7.9684 -5.4056 -5.4056 -5.3695 -5.3695 -4.1585 -4.1585 -4.0755 -4.0755 -3.8462 -3.8462 -2.9713 -2.9713 -1.9177 -1.9177 -1.8827 -1.8827 -1.7817 -1.7817 -1.6449 -1.6449 -1.5536 -1.5536 -0.6890 -0.6890 -0.5030 -0.5030 2.8912 2.8912 3.1360 3.1360 3.1559 3.1559 3.5128 3.5128 k = 0.5252 0.1657-0.0453 ( 5271 PWs) bands (ev): -28.5017 -28.5017 -28.4519 -28.4519 -20.8399 -20.8399 -20.6963 -20.6963 -19.1482 -19.1482 -15.9397 -15.9397 -13.6514 -13.6514 -8.7691 -8.7691 -8.7313 -8.7313 -8.0032 -8.0032 -7.9662 -7.9662 -5.4107 -5.4107 -5.3769 -5.3769 -4.1576 -4.1576 -4.0936 -4.0936 -3.8471 -3.8471 -2.9721 -2.9721 -1.9155 -1.9155 -1.8792 -1.8792 -1.7544 -1.7544 -1.6470 -1.6470 -1.5487 -1.5487 -0.6889 -0.6889 -0.5466 -0.5466 2.9521 2.9521 3.1432 3.1432 3.1624 3.1624 3.4893 3.4893 k = 0.5210 0.1644-0.0216 ( 5267 PWs) bands (ev): -28.5017 -28.5017 -28.4520 -28.4520 -20.8405 -20.8405 -20.6956 -20.6956 -19.1487 -19.1487 -15.9398 -15.9398 -13.6515 -13.6515 -8.7611 -8.7611 -8.7288 -8.7288 -7.9993 -7.9993 -7.9640 -7.9640 -5.4151 -5.4151 -5.3833 -5.3833 -4.1573 -4.1573 -4.1089 -4.1089 -3.8477 -3.8477 -2.9727 -2.9727 -1.9139 -1.9139 -1.8768 -1.8768 -1.7288 -1.7288 -1.6483 -1.6483 -1.5442 -1.5442 -0.6889 -0.6889 -0.5858 -0.5858 3.0095 3.0095 3.1506 3.1506 3.1681 3.1681 3.4680 3.4680 k = 0.5168 0.1631 0.0022 ( 5262 PWs) bands (ev): -28.5017 -28.5017 -28.4521 -28.4521 -20.8410 -20.8410 -20.6950 -20.6950 -19.1491 -19.1491 -15.9398 -15.9398 -13.6515 -13.6515 -8.7549 -8.7549 -8.7263 -8.7263 -7.9962 -7.9962 -7.9619 -7.9619 -5.4187 -5.4187 -5.3885 -5.3885 -4.1577 -4.1577 -4.1212 -4.1212 -3.8480 -3.8480 -2.9731 -2.9731 -1.9128 -1.9128 -1.8751 -1.8751 -1.7068 -1.7068 -1.6482 -1.6482 -1.5403 -1.5403 -0.6891 -0.6891 -0.6198 -0.6198 3.0627 3.0627 3.1578 3.1578 3.1732 3.1732 3.4493 3.4493 k = 0.5126 0.1618 0.0259 ( 5256 PWs) bands (ev): -28.5017 -28.5017 -28.4522 -28.4522 -20.8414 -20.8414 -20.6945 -20.6945 -19.1494 -19.1494 -15.9398 -15.9398 -13.6515 -13.6515 -8.7505 -8.7505 -8.7238 -8.7238 -7.9940 -7.9940 -7.9601 -7.9601 -5.4216 -5.4216 -5.3926 -5.3926 -4.1590 -4.1590 -4.1299 -4.1299 -3.8481 -3.8481 -2.9735 -2.9735 -1.9120 -1.9120 -1.8739 -1.8739 -1.6902 -1.6902 -1.6462 -1.6462 -1.5371 -1.5371 -0.6898 -0.6898 -0.6472 -0.6472 3.1101 3.1101 3.1644 3.1644 3.1776 3.1776 3.4338 3.4338 k = 0.5084 0.1604 0.0497 ( 5254 PWs) bands (ev): -28.5017 -28.5017 -28.4523 -28.4523 -20.8416 -20.8416 -20.6942 -20.6942 -19.1496 -19.1496 -15.9398 -15.9398 -13.6516 -13.6516 -8.7476 -8.7476 -8.7216 -8.7216 -7.9924 -7.9924 -7.9588 -7.9588 -5.4237 -5.4237 -5.3956 -5.3956 -4.1610 -4.1610 -4.1351 -4.1351 -3.8482 -3.8482 -2.9737 -2.9737 -1.9114 -1.9114 -1.8730 -1.8730 -1.6802 -1.6802 -1.6422 -1.6422 -1.5346 -1.5346 -0.6916 -0.6916 -0.6663 -0.6663 3.1484 3.1484 3.1701 3.1701 3.1820 3.1820 3.4219 3.4219 k = 0.5042 0.1591 0.0734 ( 5262 PWs) bands (ev): -28.5017 -28.5017 -28.4523 -28.4523 -20.8418 -20.8418 -20.6940 -20.6940 -19.1498 -19.1498 -15.9398 -15.9398 -13.6516 -13.6516 -8.7461 -8.7461 -8.7202 -8.7202 -7.9916 -7.9916 -7.9579 -7.9579 -5.4250 -5.4250 -5.3973 -5.3973 -4.1628 -4.1628 -4.1377 -4.1377 -3.8483 -3.8483 -2.9738 -2.9738 -1.9111 -1.9111 -1.8725 -1.8725 -1.6756 -1.6756 -1.6380 -1.6380 -1.5330 -1.5330 -0.6949 -0.6949 -0.6760 -0.6760 3.1677 3.1677 3.1764 3.1764 3.1903 3.1903 3.4141 3.4141 k = 0.5000 0.1578 0.0971 ( 5262 PWs) bands (ev): -28.5017 -28.5017 -28.4523 -28.4523 -20.8419 -20.8419 -20.6939 -20.6939 -19.1498 -19.1498 -15.9398 -15.9398 -13.6516 -13.6516 -8.7456 -8.7456 -8.7197 -8.7197 -7.9913 -7.9913 -7.9576 -7.9576 -5.4254 -5.4254 -5.3979 -5.3979 -4.1635 -4.1635 -4.1385 -4.1385 -3.8483 -3.8483 -2.9739 -2.9739 -1.9110 -1.9110 -1.8724 -1.8724 -1.6743 -1.6743 -1.6363 -1.6363 -1.5325 -1.5325 -0.6969 -0.6969 -0.6784 -0.6784 3.1706 3.1706 3.1789 3.1789 3.1974 3.1974 3.4103 3.4103 k = 0.5000-0.7134-0.4392 ( 5296 PWs) bands (ev): -28.5085 -28.5085 -28.4374 -28.4374 -20.8167 -20.8167 -20.7326 -20.7326 -19.1074 -19.1074 -15.9510 -15.9510 -13.6391 -13.6391 -9.2265 -9.2265 -8.7701 -8.7701 -8.2665 -8.2665 -8.0590 -8.0590 -5.2285 -5.2285 -4.8317 -4.8317 -4.3593 -4.3593 -4.1586 -4.1586 -3.3742 -3.3742 -2.5995 -2.5995 -2.1577 -2.1577 -2.0268 -2.0268 -1.6889 -1.6889 -1.5451 -1.5451 -1.5071 -1.5071 -0.6830 -0.6830 -0.2174 -0.2174 1.6410 1.6410 2.7800 2.7800 3.1854 3.1854 4.1057 4.1057 k = 0.5207-0.7028-0.4327 ( 5298 PWs) bands (ev): -28.5085 -28.5085 -28.4375 -28.4375 -20.8166 -20.8166 -20.7327 -20.7327 -19.1074 -19.1074 -15.9509 -15.9509 -13.6392 -13.6392 -9.2264 -9.2264 -8.7703 -8.7703 -8.2667 -8.2667 -8.0588 -8.0588 -5.2285 -5.2285 -4.8315 -4.8315 -4.3589 -4.3589 -4.1590 -4.1590 -3.3739 -3.3739 -2.5996 -2.5996 -2.1589 -2.1589 -2.0264 -2.0264 -1.6895 -1.6895 -1.5450 -1.5450 -1.5073 -1.5073 -0.6831 -0.6831 -0.2159 -0.2159 1.6411 1.6411 2.7807 2.7807 3.1854 3.1854 4.1044 4.1044 k = 0.5414-0.6923-0.4263 ( 5291 PWs) bands (ev): -28.5084 -28.5084 -28.4376 -28.4376 -20.8162 -20.8162 -20.7330 -20.7330 -19.1076 -19.1076 -15.9507 -15.9507 -13.6393 -13.6393 -9.2262 -9.2262 -8.7708 -8.7708 -8.2670 -8.2670 -8.0579 -8.0579 -5.2287 -5.2287 -4.8308 -4.8308 -4.3580 -4.3580 -4.1601 -4.1601 -3.3728 -3.3728 -2.6001 -2.6001 -2.1621 -2.1621 -2.0253 -2.0253 -1.6913 -1.6913 -1.5450 -1.5450 -1.5081 -1.5081 -0.6832 -0.6832 -0.2114 -0.2114 1.6413 1.6413 2.7830 2.7830 3.1854 3.1854 4.1004 4.1004 k = 0.5621-0.6818-0.4198 ( 5289 PWs) bands (ev): -28.5082 -28.5082 -28.4377 -28.4377 -20.8156 -20.8156 -20.7335 -20.7335 -19.1079 -19.1079 -15.9504 -15.9504 -13.6395 -13.6395 -9.2257 -9.2257 -8.7716 -8.7716 -8.2676 -8.2676 -8.0565 -8.0565 -5.2290 -5.2290 -4.8296 -4.8296 -4.3565 -4.3565 -4.1621 -4.1621 -3.3711 -3.3711 -2.6009 -2.6009 -2.1673 -2.1673 -2.0233 -2.0233 -1.6945 -1.6945 -1.5449 -1.5449 -1.5093 -1.5093 -0.6836 -0.6836 -0.2041 -0.2041 1.6417 1.6417 2.7867 2.7867 3.1854 3.1854 4.0939 4.0939 k = 0.5828-0.6713-0.4133 ( 5297 PWs) bands (ev): -28.5080 -28.5080 -28.4379 -28.4379 -20.8148 -20.8148 -20.7341 -20.7341 -19.1083 -19.1083 -15.9499 -15.9499 -13.6398 -13.6398 -9.2251 -9.2251 -8.7728 -8.7728 -8.2684 -8.2684 -8.0546 -8.0546 -5.2294 -5.2294 -4.8280 -4.8280 -4.3545 -4.3545 -4.1648 -4.1648 -3.3688 -3.3688 -2.6023 -2.6023 -2.1737 -2.1737 -2.0207 -2.0207 -1.6991 -1.6991 -1.5448 -1.5448 -1.5109 -1.5109 -0.6840 -0.6840 -0.1943 -0.1943 1.6423 1.6423 2.7919 2.7919 3.1855 3.1855 4.0847 4.0847 k = 0.6035-0.6608-0.4068 ( 5305 PWs) bands (ev): -28.5077 -28.5077 -28.4382 -28.4382 -20.8137 -20.8137 -20.7349 -20.7349 -19.1088 -19.1088 -15.9494 -15.9494 -13.6401 -13.6401 -9.2244 -9.2244 -8.7742 -8.7742 -8.2695 -8.2695 -8.0523 -8.0523 -5.2299 -5.2299 -4.8260 -4.8260 -4.3520 -4.3520 -4.1681 -4.1681 -3.3660 -3.3660 -2.6044 -2.6044 -2.1808 -2.1808 -2.0174 -2.0174 -1.7053 -1.7053 -1.5447 -1.5447 -1.5129 -1.5129 -0.6845 -0.6845 -0.1822 -0.1822 1.6431 1.6431 2.7986 2.7986 3.1855 3.1855 4.0728 4.0728 k = 0.6242-0.6502-0.4004 ( 5301 PWs) bands (ev): -28.5074 -28.5074 -28.4385 -28.4385 -20.8125 -20.8125 -20.7359 -20.7359 -19.1094 -19.1094 -15.9488 -15.9488 -13.6405 -13.6405 -9.2235 -9.2235 -8.7758 -8.7758 -8.2707 -8.2707 -8.0495 -8.0495 -5.2305 -5.2305 -4.8234 -4.8234 -4.3491 -4.3491 -4.1721 -4.1721 -3.3628 -3.3628 -2.6073 -2.6073 -2.1878 -2.1878 -2.0136 -2.0136 -1.7132 -1.7132 -1.5446 -1.5446 -1.5151 -1.5151 -0.6851 -0.6851 -0.1682 -0.1682 1.6442 1.6442 2.8067 2.8067 3.1855 3.1855 4.0585 4.0585 k = 0.6449-0.6397-0.3939 ( 5297 PWs) bands (ev): -28.5071 -28.5071 -28.4389 -28.4389 -20.8110 -20.8110 -20.7370 -20.7370 -19.1101 -19.1101 -15.9480 -15.9480 -13.6410 -13.6410 -9.2225 -9.2225 -8.7777 -8.7777 -8.2720 -8.2720 -8.0464 -8.0464 -5.2312 -5.2312 -4.8203 -4.8203 -4.3460 -4.3460 -4.1765 -4.1765 -3.3593 -3.3593 -2.6113 -2.6113 -2.1940 -2.1940 -2.0093 -2.0093 -1.7231 -1.7231 -1.5444 -1.5444 -1.5174 -1.5174 -0.6858 -0.6858 -0.1527 -0.1527 1.6457 1.6457 2.8162 2.8162 3.1856 3.1856 4.0417 4.0417 k = 0.6656-0.6292-0.3874 ( 5295 PWs) bands (ev): -28.5067 -28.5067 -28.4393 -28.4393 -20.8094 -20.8094 -20.7383 -20.7383 -19.1108 -19.1108 -15.9473 -15.9473 -13.6414 -13.6414 -9.2213 -9.2213 -8.7797 -8.7797 -8.2735 -8.2735 -8.0430 -8.0430 -5.2321 -5.2321 -4.8167 -4.8167 -4.3427 -4.3427 -4.1813 -4.1813 -3.3558 -3.3558 -2.6163 -2.6163 -2.1986 -2.1986 -2.0047 -2.0047 -1.7348 -1.7348 -1.5443 -1.5443 -1.5199 -1.5199 -0.6865 -0.6865 -0.1361 -0.1361 1.6475 1.6475 2.8269 2.8269 3.1856 3.1856 4.0226 4.0226 k = 0.6863-0.6187-0.3809 ( 5295 PWs) bands (ev): -28.5063 -28.5063 -28.4397 -28.4397 -20.8076 -20.8076 -20.7397 -20.7397 -19.1116 -19.1116 -15.9465 -15.9465 -13.6420 -13.6420 -9.2201 -9.2201 -8.7819 -8.7819 -8.2751 -8.2751 -8.0393 -8.0393 -5.2330 -5.2330 -4.8127 -4.8127 -4.3393 -4.3393 -4.1865 -4.1865 -3.3524 -3.3524 -2.6224 -2.6224 -2.2012 -2.2012 -1.9997 -1.9997 -1.7485 -1.7485 -1.5443 -1.5443 -1.5225 -1.5225 -0.6873 -0.6873 -0.1189 -0.1189 1.6497 1.6497 2.8388 2.8388 3.1856 3.1856 4.0013 4.0013 k = 0.7070-0.6082-0.3745 ( 5295 PWs) bands (ev): -28.5059 -28.5059 -28.4402 -28.4402 -20.8057 -20.8057 -20.7412 -20.7412 -19.1124 -19.1124 -15.9456 -15.9456 -13.6425 -13.6425 -9.2188 -9.2188 -8.7841 -8.7841 -8.2767 -8.2767 -8.0355 -8.0355 -5.2340 -5.2340 -4.8083 -4.8083 -4.3360 -4.3360 -4.1918 -4.1918 -3.3494 -3.3494 -2.6292 -2.6292 -2.2013 -2.2013 -1.9946 -1.9946 -1.7641 -1.7641 -1.5444 -1.5444 -1.5251 -1.5251 -0.6880 -0.6880 -0.1014 -0.1014 1.6523 1.6523 2.8518 2.8518 3.1856 3.1856 3.9783 3.9783 k = 0.7277-0.5977-0.3680 ( 5289 PWs) bands (ev): -28.5054 -28.5054 -28.4406 -28.4406 -20.8037 -20.8037 -20.7429 -20.7429 -19.1132 -19.1132 -15.9448 -15.9448 -13.6430 -13.6430 -9.2174 -9.2174 -8.7863 -8.7863 -8.2783 -8.2783 -8.0317 -8.0317 -5.2351 -5.2351 -4.8035 -4.8035 -4.3328 -4.3328 -4.1972 -4.1972 -3.3468 -3.3468 -2.6365 -2.6365 -2.1987 -2.1987 -1.9895 -1.9895 -1.7815 -1.7815 -1.5448 -1.5448 -1.5276 -1.5276 -0.6887 -0.6887 -0.0838 -0.0838 1.6552 1.6552 2.8656 2.8656 3.1856 3.1856 3.9538 3.9538 k = 0.7484-0.5871-0.3615 ( 5289 PWs) bands (ev): -28.5050 -28.5050 -28.4411 -28.4411 -20.8016 -20.8016 -20.7446 -20.7446 -19.1140 -19.1140 -15.9440 -15.9440 -13.6435 -13.6435 -9.2160 -9.2160 -8.7885 -8.7885 -8.2800 -8.2800 -8.0278 -8.0278 -5.2363 -5.2363 -4.7983 -4.7983 -4.3297 -4.3297 -4.2025 -4.2025 -3.3451 -3.3451 -2.6437 -2.6437 -2.1935 -2.1935 -1.9845 -1.9845 -1.8006 -1.8006 -1.5455 -1.5455 -1.5300 -1.5300 -0.6893 -0.6893 -0.0667 -0.0667 1.6584 1.6584 2.8799 2.8799 3.1855 3.1855 3.9282 3.9282 k = 0.7691-0.5766-0.3550 ( 5298 PWs) bands (ev): -28.5046 -28.5046 -28.4415 -28.4415 -20.7995 -20.7995 -20.7463 -20.7463 -19.1148 -19.1148 -15.9432 -15.9432 -13.6440 -13.6440 -9.2145 -9.2145 -8.7906 -8.7906 -8.2816 -8.2816 -8.0241 -8.0241 -5.2376 -5.2376 -4.7930 -4.7930 -4.3269 -4.3269 -4.2077 -4.2077 -3.3443 -3.3443 -2.6504 -2.6504 -2.1858 -2.1858 -1.9796 -1.9796 -1.8212 -1.8212 -1.5467 -1.5467 -1.5320 -1.5320 -0.6898 -0.6898 -0.0501 -0.0501 1.6619 1.6619 2.8943 2.8943 3.1854 3.1854 3.9023 3.9023 k = 0.7897-0.5661-0.3486 ( 5305 PWs) bands (ev): -28.5042 -28.5042 -28.4419 -28.4419 -20.7975 -20.7975 -20.7480 -20.7480 -19.1155 -19.1155 -15.9425 -15.9425 -13.6445 -13.6445 -9.2131 -9.2131 -8.7927 -8.7927 -8.2832 -8.2832 -8.0205 -8.0205 -5.2389 -5.2389 -4.7876 -4.7876 -4.3243 -4.3243 -4.2127 -4.2127 -3.3445 -3.3445 -2.6560 -2.6560 -2.1758 -2.1758 -1.9751 -1.9751 -1.8431 -1.8431 -1.5486 -1.5486 -1.5336 -1.5336 -0.6903 -0.6903 -0.0344 -0.0344 1.6654 1.6654 2.9085 2.9085 3.1853 3.1853 3.8766 3.8766 k = 0.8104-0.5556-0.3421 ( 5302 PWs) bands (ev): -28.5038 -28.5038 -28.4423 -28.4423 -20.7955 -20.7955 -20.7496 -20.7496 -19.1161 -19.1161 -15.9418 -15.9418 -13.6449 -13.6449 -9.2116 -9.2116 -8.7945 -8.7945 -8.2846 -8.2846 -8.0171 -8.0171 -5.2402 -5.2402 -4.7823 -4.7823 -4.3220 -4.3220 -4.2173 -4.2173 -3.3458 -3.3458 -2.6599 -2.6599 -2.1639 -2.1639 -1.9710 -1.9710 -1.8660 -1.8660 -1.5511 -1.5511 -1.5347 -1.5347 -0.6906 -0.6906 -0.0196 -0.0196 1.6689 1.6689 2.9219 2.9219 3.1851 3.1851 3.8521 3.8521 Writing output data file H4NF2.save init_run : 0.21s CPU 0.34s WALL ( 1 calls) electrons : 205.58s CPU 207.90s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.05s CPU 0.11s WALL ( 1 calls) Called by electrons: c_bands : 205.57s CPU 207.89s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.02s WALL ( 1 calls) newd : 0.01s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.05s WALL ( 271 calls) cegterg : 186.45s CPU 188.07s WALL ( 271 calls) Called by sum_band: Called by *egterg: h_psi : 146.88s CPU 148.19s WALL ( 5188 calls) s_psi : 1.80s CPU 1.85s WALL ( 5188 calls) g_psi : 0.22s CPU 0.23s WALL ( 4646 calls) cdiaghg : 39.29s CPU 39.73s WALL ( 4917 calls) cegterg:over : 5.66s CPU 5.71s WALL ( 4646 calls) cegterg:upda : 5.16s CPU 5.26s WALL ( 4646 calls) cegterg:last : 2.78s CPU 2.77s WALL ( 813 calls) cdiaghg:chol : 2.23s CPU 2.29s WALL ( 4917 calls) cdiaghg:inve : 1.59s CPU 1.53s WALL ( 4917 calls) cdiaghg:para : 2.44s CPU 2.43s WALL ( 9834 calls) Called by h_psi: h_psi:vloc : 141.09s CPU 142.31s WALL ( 5188 calls) h_psi:vnl : 5.59s CPU 5.63s WALL ( 5188 calls) add_vuspsi : 2.05s CPU 2.11s WALL ( 5188 calls) General routines calbec : 3.52s CPU 3.50s WALL ( 5188 calls) fft : 0.01s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 128.83s CPU 129.83s WALL ( 609640 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.19s CPU 0.24s WALL ( 542 calls) Parallel routines fft_scatter : 34.45s CPU 34.29s WALL ( 609663 calls) PWSCF : 3m41.38s CPU 4m 0.27s WALL This run was terminated on: 18: 5:14 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=